SCHEMBL725098

SCHEMBL725098

Cc1cc(C#N)c(Nc2ccccc2[N+](=O)[O-])s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
MAPK1 P28482 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CASP7 P55210 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 2/20 0.44
MAPT P10636 5/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
EPAS1 Q99814 1/20 0.40
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38

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
SCHEMBL29527221 1.00 HTT (0.46) HTTMAPK1TDP1ALDH1A1CASP7
SCHEMBL4380157 0.93 MAPT (0.47) HTTMAPK1TDP1ALDH1A1CASP7
SCHEMBL31690565 0.85 KAT2B (0.46) HTTMAPK1TDP1ALDH1A1L3MBTL1
SCHEMBL15485425 0.85 KAT2B (0.46) HTTMAPK1TDP1ALDH1A1L3MBTL1
SCHEMBL25101501 0.84 LMNA (0.47) HTTMAPK1TDP1ALDH1A1CASP7
SCHEMBL4840845 0.84 HTT (0.44) HTTMAPK1TDP1ALDH1A1CASP7
SCHEMBL4842480 0.84 VCAM1 (0.50) HTTMAPK1TDP1L3MBTL1LMNA
SCHEMBL4844309 0.84 VCAM1 (0.53) HTTMAPK1TDP1ALDH1A1L3MBTL1
SCHEMBL4837038 0.84 ATM (0.39) HTTMAPK1TDP1ALDH1A1L3MBTL1
SCHEMBL13920986 0.82 MAPK1 (0.51) MAPK1TDP1ALDH1A1CASP7L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119751233-A Preparation method of aryl propionic acid non-steroidal anti-inflammatory drug 浙江药科职业大学 2025-04-04 CN claimed
WO-2025059589-A1 IMMUNE CELL ENGAGING MOLECULES SEATTLE CHILDREN'S HOSPITAL D/B/A SEATTLE CHILDREN'S RESEARCH INSTITUTE (US) 2025-03-20 WO claimed
CN-119352094-A High-efficiency synthetic material of ethylene oxide and preparation method and application thereof 燕山大学 2025-01-24 CN claimed
CN-118761491-A Flight safety event prediction method based on dynamic graph neural network 重庆大学 2024-10-11 CN claimed
CN-113877557-B Method for synthesizing olanzapine intermediate by one-pot joint and special solid base catalyst 山东安舜制药有限公司 2024-07-02 CN claimed
EP-3347986-B1 DISCRETE TIME CURRENT MULTIPLIER CIRCUIT RAYTHEON CO (US) 2023-04-19 EP claimed
CN-113114427-B Self-adaptive system code FEC encoding method and decoding method based on media content 上海交通大学 2023-01-10 CN claimed
CN-115505962-A Ultrathin nickel-doped nonacobalt octasulfide composite molybdenum disulfide electrocatalytic material and preparation method thereof 中国石油大学(华东) 2022-12-23 CN claimed
CN-115340522-A Preparation method of 5-methyl-2- [ (2-nitrophenyl) amino ] -3-nitrilothiophene ON crystal form 浙江工业大学 2022-11-15 CN claimed
CN-105044231-B Method for separating and measuring related substances of olanzapine pamoate monohydrate 万特制药(海南)有限公司 2022-09-13 CN claimed
CN-112250663-B Compound single crystal and method for producing same 中山大学 2022-08-19 CN claimed
CN-110927206-B Test device and method for testing comprehensive heat conductivity coefficient profile of stratum 长江大学 2022-06-24 CN claimed
CN-113877557-A Method for synthesizing olanzapine intermediate by one-pot continuous feeding and special solid base catalyst 山东安舜制药有限公司 2022-01-04 CN claimed
CN-112250663-A Compound single crystal and method for producing same 中山大学 2021-01-22 CN claimed
CN-111849151-A Photolysis nylon film 昆山运融新材料科技有限公司 2020-10-30 CN claimed
CN-110656347-B Electroreduction preparation method of olanzapine intermediate 浙江大学 2020-10-02 CN claimed
CN-111004210-A Compound single crystal and method for producing same 中山大学 2020-04-14 CN claimed
CN-110656347-A Electroreduction preparation method of olanzapine intermediate 浙江大学 2020-01-07 CN claimed
US-RE40033-E1 Process for preparing 2-methyl-thieno-benzodiazepine ELI LILLY AND COMPANY (US) 2008-01-22 US claimed
US-6008216-A CHEMICAL SYNTHESIS OF ANTIPSYCHOTIC DRUGS FOR TREATING DISORDERS OF THE CENTRAL NERVOUS SYSTEM, SERIOUS MENTAL CONDITIONS SUCH AS PSYCHOSIS, SCHIZOPHRENIA AND SCHIZOPHRENIFORM ILLNESSES ELI LILLY AND COMPANY AND LIMITED (GB) 1999-12-28 US claimed