SCHEMBL9806498

SCHEMBL9806498

CNC(=O)N(O)Cc1cccc(Nc2ccccc2C(=O)OC)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.46
MAPT P10636 2/20 0.45
ALOX15 P16050 1/20 0.45
KDM4E B2RXH2 4/20 0.45
POLB P06746 1/20 0.45
ATM Q13315 1/20 0.45
KMT2A Q03164 1/20 0.42
LMNA P02545 4/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
ALDH1A1 P00352 5/20 0.40
GLA P06280 1/20 0.40
HTT P42858 1/20 0.40
GAA P10253 1/20 0.39
CDC25B P30305 2/20 0.39
CDC25A P30304 1/20 0.39
CDC25C P30307 1/20 0.39
METTL3 Q86U44 1/20 0.38
MAPK1 P28482 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
SCHEMBL9806505 0.90 PTGS2 (0.48) PTGS2MAPTALOX15KDM4EPOLB
SCHEMBL9806495 0.87 MAPT (0.46) PTGS2MAPTALOX15KDM4EPOLB
SCHEMBL9806503 0.84 CDC25B (0.47) PTGS2MAPTALOX15KDM4EPOLB
SCHEMBL9806492 0.80 MAPT (0.54) PTGS2MAPTALOX15KDM4EPOLB
SCHEMBL9806587 0.78 MAPT (0.51) PTGS2MAPTALOX15KDM4EPOLB
SCHEMBL9806504 0.77 CLCN2 (0.53) PTGS2MAPTKMT2ALMNACDC25B
SCHEMBL9806643 0.76 PTGS2 (0.49) PTGS2MAPTALOX15KDM4EPOLB
SCHEMBL9806509 0.76 MAPT (0.49) PTGS2MAPTALOX15KDM4EPOLB
SCHEMBL9806489 0.75 KMT2A (0.56) PTGS2MAPTKMT2ALMNAMAPK8
SCHEMBL9806516 0.75 PTGS2 (0.63) PTGS2MAPTALOX15KMT2ALMNA

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