SCHEMBL85646

SCHEMBL85646

Cc1cc([N+](=O)[O-])ccc1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 1.00
TDP1 Q9NUW8 6/20 1.00
CYP3A4 P08684 5/20 1.00
TSHR P16473 6/20 0.74
HTT P42858 1/20 0.58
GAA P10253 1/20 0.57
THRB P10828 1/20 0.57
ACHE P22303 2/20 0.52
HSD17B10 Q99714 1/20 0.52
ALOX15 P16050 2/20 0.52
LMNA P02545 2/20 0.48
MAPT P10636 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PDE2A O00408 1/20 0.47
PDE5A O76074 1/20 0.47
NFKB1 P19838 1/20 0.47
APEX1 P27695 1/20 0.47
PDE4A P27815 1/20 0.47

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
Hydrochloric Acid SCHEMBL8873960 0.98 ALDH1A1 (0.96) ALDH1A1TDP1CYP3A4TSHRHTT
Methyl Alcohol SCHEMBL28103605 0.96 ALDH1A1 (0.92) ALDH1A1TDP1CYP3A4TSHRHTT
Nitrogen SCHEMBL28729804 0.96 ALDH1A1 (0.92) ALDH1A1TDP1CYP3A4TSHRHTT
Sulfuric Acid SCHEMBL10656288 0.91 ALDH1A1 (0.82) ALDH1A1TDP1CYP3A4TSHRHTT
SCHEMBL4437873 0.85 CYP3A4 (1.00) ALDH1A1TDP1CYP3A4TSHRHTT
SCHEMBL2313 0.85 CYP3A4 (1.00) ALDH1A1TDP1CYP3A4TSHRHTT
4-Chloro-2-Nitroaniline SCHEMBL11206094 0.83 TDP1 (0.70) ALDH1A1TDP1CYP3A4TSHRHTT
Water SCHEMBL7777064 0.83 CYP3A4 (0.96) ALDH1A1TDP1CYP3A4TSHRHTT
Hydrochloric Acid SCHEMBL27699078 0.83 CYP3A4 (0.96) ALDH1A1TDP1CYP3A4TSHRHTT
Methylamine SCHEMBL11819150 0.83 ALDH1A1 (0.91) ALDH1A1TDP1CYP3A4TSHRHTT

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

Appears in 2263 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114106341-B Comb copolymer, preparation method and application thereof 广州立邦涂料有限公司 2025-05-02 CN claimed
CN-114920698-B Preparation method of 6-chloro-2-methyl-2H-indol-5-amine 浙江科技学院 2024-06-25 CN claimed
CN-117504934-A Novel chromium catalyst and preparation method thereof 北方华锦化学工业股份有限公司 2024-02-06 CN claimed
CN-117247515-A Polyimide containing Trringer's Base element and gas separation membrane and method prepared by polyimide 西北工业大学 2023-12-19 CN claimed
CN-116854913-A Preparation method of high-impact-resistance bismaleimide resin 西北工业大学 2023-10-10 CN claimed
CN-114515520-B Acid-resistant nanofiltration membrane with high flux and high selectivity based on Taylor base and preparation method thereof 浙江工业大学 2023-06-02 CN claimed
WO-2023282382-A1 METHOD FOR PREPARING 2,5-DIAMINOTOLUENE SULFATE 씨에스아이엠 주식회사 2023-01-12 WO claimed
WO-2022228846-A1 METHOD FOR PRODUCING A TERMINAL-FUNCTIONAL POLYMER BASF SE (DE) 2022-11-03 WO claimed
CN-111056967-B Synthetic method of 3-methyl-4-amino-N- (4-amino-2-methyl-phenyl) -benzamide 常州市阳光药业有限公司 2022-09-13 CN claimed
CN-114920698-A Preparation method of 6-chloro-2-methyl-2H-indole-5-amine 浙江科技学院 2022-08-19 CN claimed
US-4626556-A LADDER POLYMERS JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1986-12-02 US claimed
EP-0186999-A1 Optical compositions BRITISH TELECOMMUNICATIONS public limited company (GB) 1986-07-09 EP claimed
US-4443630-A Process for preparing 2-amino-5-nitrotoluene HOECHST AKTIENGESELLSCHAFT (DE) 1984-04-17 US claimed
EP-0083924-A2 Process for the preparation of 2-amino-5 nitrotoluene HOECHST AKTIENGESELLSCHAFT (DE) 1983-07-20 EP claimed
US-4294908-A Photoresist composition containing modified cyclized diene polymers JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1981-10-13 US claimed
US-4288362-A Monoazo pigments containing a quinazo linonylacetoacetanilide coupling component BAYER AKTIENGESELLSCHAFT (DE) 1981-09-08 US claimed
WO-1980001225-A1 2-METHYL-4-NITRO-ANILINE NONLINEAR OPTICAL DEVICES WESTERN ELECTRIC CO (US) 1980-06-12 WO claimed
US-4199698-A 2-Methyl-4-nitro-aniline nonlinear optical devices BELL TELEPHONE LABORATORIES, INCORPORATED (US) 1980-04-22 US claimed
US-4009205-A PROCESS FOR PREPARING 4-AMINO-3-METHYL-N-SUBSTITUTED OR UNSUBSTITUTED ALKYLANILINES SANKO CHEMICAL COMPANY LTD. (JA) 1977-02-22 US claimed
US-3948667-A HOMO- AND CO-POLYMERS OF CYCLIZED BUTADIENE AND A CROSSLINKING AGENT JAPAN SYNTHETIC RUBBER COMPANY LIMITED (JA) 1976-04-06 US claimed