SCHEMBL9806643

SCHEMBL9806643

COC(=O)c1ccccc1Nc1cccc(CCNO)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.49
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
ALDH1A1 P00352 5/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 5/20 0.47
GLA P06280 1/20 0.47
POLB P06746 1/20 0.46
ATM Q13315 1/20 0.46
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
MAPK10 P53779 1/20 0.44
CDC25B P30305 5/20 0.44
CDC25A P30304 1/20 0.44
CDC25C P30307 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL9806587 0.87 MAPT (0.51) PTGS2MAPTALOX15ALDH1A1KMT2A
SCHEMBL9806492 0.84 MAPT (0.54) PTGS2MAPTALOX15ALDH1A1KMT2A
SCHEMBL9806505 0.79 PTGS2 (0.48) PTGS2MAPTALOX15ALDH1A1KMT2A
SCHEMBL9806498 0.76 PTGS2 (0.46) PTGS2MAPTALOX15ALDH1A1KMT2A
SCHEMBL19065779 0.76 MAPT (0.79) PTGS2MAPTALOX15ALDH1A1KMT2A
SCHEMBL9806533 0.75 MAPT (0.52) PTGS2MAPTALOX15ALDH1A1KMT2A
SCHEMBL9806503 0.75 CDC25B (0.47) PTGS2MAPTALOX15ALDH1A1KMT2A
SCHEMBL7025322 0.74 MAPT (0.61) PTGS2MAPTALOX15ALDH1A1KMT2A
SCHEMBL9806523 0.73 MAPT (0.50) PTGS2MAPTALOX15ALDH1A1KMT2A
SCHEMBL9806500 0.73 MAPT (0.52) PTGS2MAPTALOX15ALDH1A1KMT2A

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