SCHEMBL57257

SCHEMBL57257

N#Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.61
KCNJ1 P48048 1/20 0.60
KCNH2 Q12809 1/20 0.60
PGR P06401 1/20 0.57
MAPT P10636 3/20 0.55
THRB P10828 1/20 0.55
FBP1 P09467 4/20 0.52
ALDH1A1 P00352 3/20 0.50
ACHE P22303 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NPC1 O15118 1/20 0.50
PKM P14618 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 2/20 0.48
RAD51 Q06609 1/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
CES1 P23141 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16089350 1.00 VCAM1 (0.61) VCAM1KCNJ1KCNH2PGRMAPT
Selenium SCHEMBL9497333 0.98 VCAM1 (0.59) VCAM1KCNJ1KCNH2PGRMAPT
SCHEMBL27214761 0.94 KCNJ1 (0.55) VCAM1KCNJ1KCNH2PGRMAPT
SCHEMBL2961542 0.94 KCNJ1 (0.55) VCAM1KCNJ1KCNH2PGRMAPT
Ammonia Solution, Strong SCHEMBL3939797 0.90 KCNJ1 (0.53) VCAM1KCNJ1KCNH2PGRMAPT
SCHEMBL28280443 0.90 KCNJ1 (0.53) VCAM1KCNJ1KCNH2PGRMAPT
SCHEMBL8384330 0.90 KCNJ1 (0.53) VCAM1KCNJ1KCNH2PGRMAPT
Benzonitrile SCHEMBL27467965 0.89 ALDH1A1 (0.60) VCAM1KCNJ1KCNH2PGRMAPT
SCHEMBL3128583 0.88 HSPB1 (0.59) VCAM1KCNJ1KCNH2PGRMAPT
SCHEMBL20380311 0.88 KCNJ1 (0.51) VCAM1KCNJ1KCNH2PGRMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1683 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122070479-A Ultrasonic indicating device and method for monitoring ultrasonic treatment JP实验室股份有限公司 2026-05-19 CN claimed
CN-118142583-B Method for catalyzing nitro compound hydrogenation by porous polymer-based metal catalyst 浙江大学 2026-05-12 CN claimed
CN-119161307-B Synthesis method of 1- (2-pyrazinyl) ethanol 济南悟通生物科技有限公司 2025-03-18 CN claimed
CN-114560787-B Preparation method of dabigatran etexilate intermediate p-aminobenzonitrile 内蒙古京科医药科技有限公司 2025-02-25 CN claimed
CN-119161307-A Synthesis method of 1- (2-pyrazinyl) ethanol 济南悟通生物科技有限公司 2024-12-20 CN claimed
CN-118834142-A Synthesis method of 4-nitrobenzonitrile 安徽大学 2024-10-25 CN claimed
CN-118185222-A SBS-based dynamic reversible cross-linked luminous liquid crystal elastomer and preparation method thereof 大连理工大学 2024-06-14 CN claimed
CN-118142583-A Method for catalyzing nitro compound hydrogenation by porous polymer-based metal catalyst 浙江大学 2024-06-07 CN claimed
CN-117920223-A Application of magnetic iron-nickel spinel in preparation of aromatic amine compound by catalytic hydrogenation of aromatic nitro compound 兰州大学 2024-04-26 CN claimed
CN-117848995-A Method for monitoring enzymatic reaction of amide substances, on-line monitoring and automatic control equipment 北京衍微科技有限公司 2024-04-09 CN claimed
EP-0316446-A1 IMPROVED CONDUCTIVE POLYURETHANE FOAM COMPOSITIONS AND METHOD CREST-FOAM Corp. (US) 1989-05-24 EP claimed
WO-1988009350-A1 IMPROVED CONDUCTIVE POLYURETHANE FOAM COMPOSITIONS AND METHOD CREST-FOAM COPORATION (US) 1988-12-01 WO claimed
US-4470930-A Preparation of nuclear chlorinated aromatic compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1984-09-11 US claimed
US-4343871-A GROUP IA METAL ANODE AND CATHODE FORMED OF ORGANIC COMPOUND HAVINGPI-ELECTRON CONJUGATED SYSTEM NIPPON TELEGRAPH & TELEPHONE PUBLIC CORPORATION (JP) 1982-08-10 US claimed
US-4302521-A TRANSPORT PHASE OF A P-TYPE ORGANIC SEMICONDUCTOR, POLYVINYLCARBAZOLE, A LEWIS AND A BRONSTED ACID; CHARGE TRANSFER COMPOUNDS KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1981-11-24 US claimed
US-4049712-A Method for manufacturing hydrazodicarbonamide PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1977-09-20 US claimed
US-3984451-A Method for preparing hydrazo-bis-acetonitriles PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1976-10-05 US claimed
US-3972876-A Process for the preparation of symmetrical and unsymmetrical azines and mixtures thereof PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1976-08-03 US claimed
US-3972874-A Method for preparing symmetrical and unsymmetrical ketazines and mixtures thereof PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1976-08-03 US claimed
US-3943132-A Process for the preparation of hydrazones PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1976-03-09 US claimed