SCHEMBL10399397

SCHEMBL10399397

COc1cccc(C(=C/C=C\C(=O)Oc2ccc([N+](=O)[O-])cc2)c2cccc(OC)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
AHR P35869 1/20 0.51
ALDH1A1 P00352 5/20 0.49
TP53 P04637 1/20 0.49
LMNA P02545 1/20 0.49
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
GAA P10253 1/20 0.45
POLB P06746 1/20 0.44
ELANE P08246 1/20 0.44
GPR17 Q13304 1/20 0.44
PAX8 Q06710 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
SCHEMBL10398998 1.00 MAPT (0.51) MAPTKMT2AMEN1AHRALDH1A1
SCHEMBL10399000 1.00 MAPT (0.51) MAPTKMT2AMEN1AHRALDH1A1
SCHEMBL10398340 0.97 MAPT (0.48) MAPTKMT2AMEN1AHRALDH1A1
SCHEMBL10398343 0.97 MAPT (0.48) MAPTKMT2AMEN1AHRALDH1A1
SCHEMBL10398341 0.97 MAPT (0.48) MAPTKMT2AMEN1AHRALDH1A1
SCHEMBL10399067 0.94 PTAFR (0.47) MAPTKMT2AMEN1AHRALDH1A1
SCHEMBL10399068 0.94 PTAFR (0.47) MAPTKMT2AMEN1AHRALDH1A1
SCHEMBL10399066 0.94 PTAFR (0.47) MAPTKMT2AMEN1AHRALDH1A1
SCHEMBL10399270 0.88 CES2 (0.49) MAPTKMT2AMEN1ALDH1A1TP53
SCHEMBL10397707 0.88 CES2 (0.49) MAPTKMT2AMEN1ALDH1A1TP53

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-4975438-A ANTICOAGULANT HOFFMANN-LA ROCHE INC. (US) 1990-12-04 US disclosed
US-4788206-A CARDIOVASCULAR DISORDERS, PLATELETS HOFFMANN-LA ROCHE INC. (US) 1988-11-29 US disclosed