SCHEMBL28575271

SCHEMBL28575271

Cc1ccc(-n2nccc2OC(N)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 2/20 0.46
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 1/20 0.43
RAB9A P51151 5/20 0.43
KDM5A P29375 1/20 0.40
KDM2B Q8NHM5 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
CDK8 P49336 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C18 P33260 1/20 0.39
NPC1 O15118 2/20 0.38
NPBWR1 P48145 4/20 0.38
MCHR1 Q99705 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 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
SCHEMBL9831007 0.83 ALDH1A1 (0.46) NR3C2ALDH1A1KMT2ARAB9AKDM5A
SCHEMBL17436825 0.75 CDK8 (0.60) ALDH1A1CDK8CYP2C9
SCHEMBL23141464 0.74 SMN1; SMN2 (0.39) ALDH1A1KMT2ARAB9ASMN1; SMN2L3MBTL1
SCHEMBL1456373 0.74 RAB9A (0.56) ALDH1A1KMT2ARAB9ASMN1; SMN2L3MBTL1
SCHEMBL28941561 0.74 MAPT (0.46) ALDH1A1KMT2ARAB9AKDM5AKDM4C
SCHEMBL18256262 0.73 NPBWR1 (0.45) ALDH1A1KMT2ARAB9AKDM5AKDM2B
SCHEMBL18256245 0.71 KDM5A (0.49) ALDH1A1KMT2ARAB9AKDM5AKDM2B
SCHEMBL9683620 0.71 TDP1 (0.46) NR3C2ALDH1A1KMT2ARAB9ASMN1; SMN2
SCHEMBL3417583 0.70 POLB (0.50) NR3C2KMT2ARAB9AKDM5AKDM4C
SCHEMBL11128539 0.70 KMT2A (0.35) KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106573914-B Pyrazolyl-ureas as kinase inhibitors 瑞斯比维特有限公司 2021-05-28 CN disclosed