SCHEMBL433371

SCHEMBL433371

Nc1ccnn1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 1.00
SMN1; SMN2 Q16637 5/20 0.47
CYP2C19 P33261 3/20 0.47
CYP1A2 P05177 2/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 6/20 0.46
NPC1 O15118 5/20 0.46
CYP2C9 P11712 5/20 0.45
CYP2C18 P33260 4/20 0.45
TSHR P16473 3/20 0.45
HSD17B10 Q99714 2/20 0.45
LMNA P02545 2/20 0.45
CYP3A4 P08684 1/20 0.45
NFKB1 P19838 1/20 0.45
THPO P40225 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP2C8 P10632 3/20 0.43
PTGS1 P23219 1/20 0.42
ALDH1A1 P00352 3/20 0.42

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
SCHEMBL4953428 0.88 POLB (0.78) POLBSMN1; SMN2CYP2C19CYP1A2MAPK1
SCHEMBL1491122 0.83 POLB (0.70) POLBSMN1; SMN2RAB9ANPC1TSHR
SCHEMBL1491136 0.82 POLB (0.69) POLBSMN1; SMN2CYP2C19MAPK1CYP2C9
SCHEMBL16652179 0.79 POLB (0.66) POLBSMN1; SMN2RAB9ANPC1CYP3A4
SCHEMBL28208832 0.79 POLB (0.63) POLBSMN1; SMN2CYP2C19CYP1A2MAPK1
SCHEMBL1247688 0.78 POLB (0.64) POLBSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL5306978 0.78 POLB (0.64) POLBSMN1; SMN2CYP2C19CYP2C9CYP2C18
SCHEMBL1491115 0.78 POLB (0.64) POLBSMN1; SMN2CYP2C19CYP1A2RAB9A
SCHEMBL1491089 0.78 POLB (0.64) POLBSMN1; SMN2CYP1A2MAPK1RAB9A
SCHEMBL4951229 0.78 POLB (0.64) POLBSMN1; SMN2MAPK1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118791483-A 1H-pyrazolo [3,4-b ] pyridine derivative and preparation method and application thereof 郑州大学 2024-10-18 CN claimed
CN-105209440-B Halopyrazoles as Thrombin Inhibitors 维颂公司 2019-07-23 CN claimed
CN-109734719-A The preparation method of fused heterocyclic compound 华南农业大学 2019-05-10 CN claimed
CN-102650055-B Composite corrosion inhibitor for butyl rubber chloromethane glycol dehydration and regeneration system CHINA PETROLEUM & CHEMICAL 2015-05-06 CN claimed
CN-102650058-B Composite corrosion inhibitor for butyl rubber chloromethane glycol dehydration and regeneration system CHINA PETROLEUM & CHEMICAL 2015-04-15 CN claimed
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 EP claimed
CN-101928943-B Compound corrosion inhibitor for butyl rubber chloromethane glycol dehydrating regeneration system CHINA PETROLEUM & CHEMICAL 2013-01-16 CN claimed
CN-102650055-A Composite corrosion inhibitor for butyl rubber chloromethane glycol dehydration and regeneration system CHINA PETROLEUM & CHEMICAL 2012-08-29 CN claimed
CN-102650058-A Composite corrosion inhibitor for butyl rubber chloromethane glycol dehydration and regeneration system CHINA PETROLEUM & CHEMICAL 2012-08-29 CN claimed
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 US claimed
US-4787930-A 5-amino-1-phenyl-pyrazole herbicides and plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1988-11-29 US claimed
EP-0154115-B1 HERBICIDAL COMPOSITIONS BASED ON DERIVATIVES OF PYRAZOLES BAYER AG (DE) 1988-10-26 EP claimed
EP-0272212-A2 Process for continually producing azo or hydrazone dyes CIBA-GEIGY AG (CH) 1988-06-22 EP claimed
US-4740232-A Substituted 5-amino-1-phenylpyrazoles composition containing them and herbicidal method of using them BAYER AKTIENGESELLSCHAFT (DE) 1988-04-26 US claimed
EP-0243636-A1 1-Aryl-4-trifluoromethyl-5-amino pyrazoles as pesticides BAYER AG (DE) 1987-11-04 EP claimed
EP-0235558-A2 5-Amino-1-phenyl pyrazoles BAYER AG (DE) 1987-09-09 EP claimed
CN-87100874-A The 5-amino-1-phenyl-pyrazoles 1987-08-19 CN claimed
US-4614533-A Herbicidal 5-amino-1-phenylpyrazoles BAYER AKTIENGESELLSCHAFT (DE) 1986-09-30 US claimed
EP-0173821-A1 Substituted 5-amino-1-phenyl pyrazoles BAYER AG (DE) 1986-03-12 EP claimed
EP-0154115-A1 Herbicidal compositions based on derivatives of pyrazoles BAYER AG (DE) 1985-09-11 EP claimed