SCHEMBL9806495

SCHEMBL9806495

CNC(=O)N(O)Cc1cccc(Nc2ccccc2C(=O)OC)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
ALOX15 P16050 1/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
ATM Q13315 1/20 0.46
KMT2A Q03164 3/20 0.43
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
MAPK10 P53779 1/20 0.42
CDC25B P30305 5/20 0.42
CDC25A P30304 1/20 0.42
CDC25C P30307 1/20 0.42
PTGS2 P35354 3/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
AKR1C3 P42330 2/20 0.41
HIF1A Q16665 2/20 0.41

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
SCHEMBL9806509 0.89 MAPT (0.49) MAPTALOX15KDM4EPOLBATM
SCHEMBL9806489 0.88 KMT2A (0.56) MAPTKMT2AMAPK8CDC25BPTGS2
SCHEMBL9806498 0.87 PTGS2 (0.46) MAPTALOX15KDM4EPOLBATM
SCHEMBL9806488 0.85 CDC25B (0.49) MAPTALOX15KDM4EPOLBATM
SCHEMBL9806533 0.78 MAPT (0.52) MAPTALOX15KDM4EPOLBATM
SCHEMBL9806532 0.77 AKR1C3 (0.59) MAPTKDM4EPOLBKMT2AMAPK8
SCHEMBL9806505 0.76 PTGS2 (0.48) MAPTALOX15KDM4EPOLBATM
SCHEMBL9806483 0.74 MEN1 (0.53) MAPTKDM4EPOLBKMT2AMAPK8
SCHEMBL9806503 0.74 CDC25B (0.47) MAPTALOX15KDM4EPOLBATM
SCHEMBL11344390 0.74 PTGS2 (0.71) MAPTALOX15KDM4EPOLBATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5017604-A Antiinflammatory WARNER-LAMBERT COMPANY (US) 1991-05-21 US claimed
US-5017604-A Antiinflammatory WARNER-LAMBERT COMPANY (US) 1991-05-21 US disclosed