SCHEMBL8716505

SCHEMBL8716505

COCc1ccc(C(=O)Nc2ccccc2OC)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.65
NPC1 O15118 3/20 0.65
RAB9A P51151 3/20 0.65
MEN1 O00255 3/20 0.65
CASP3 P42574 2/20 0.65
SENP7 Q9BQF6 2/20 0.65
KDM4E B2RXH2 2/20 0.65
MLYCD O95822 1/20 0.63
MAPT P10636 2/20 0.61
GAA P10253 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
TP53 P04637 1/20 0.61
POLB P06746 1/20 0.61
PABPC1 P11940 1/20 0.60
APOBEC3A P31941 1/20 0.60
EIF4H Q15056 1/20 0.60
APOBEC3G Q9HC16 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60

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
SCHEMBL8716774 0.87 MLYCD (0.64) KMT2ANPC1RAB9AMEN1CASP3
SCHEMBL8710976 0.86 MEN1 (0.63) KMT2ANPC1RAB9AMEN1CASP3
SCHEMBL8714744 0.84 HDAC1 (0.65) KMT2ANPC1RAB9AMEN1CASP3
SCHEMBL8710838 0.83 HDAC1 (0.62) KMT2ANPC1RAB9AMEN1CASP3
SCHEMBL527994 0.83 RAB9A (0.77) KMT2ANPC1RAB9AMEN1KDM4E
SCHEMBL29989592 0.83 RAB9A (0.77) KMT2ANPC1RAB9AMEN1KDM4E
SCHEMBL24890761 0.83 HDAC1 (0.68) HDAC1HDAC11HDAC6
SCHEMBL9566822 0.82 MEN1 (0.74) KMT2ANPC1RAB9AMEN1CASP3
SCHEMBL9620767 0.82 MLYCD (0.69) KMT2ANPC1RAB9AMEN1MLYCD
SCHEMBL8970971 0.82 POLB (0.70) KMT2ANPC1RAB9AMEN1KDM4E

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-5728835-A HYPOTENSIVE AGENTS; ANTIISCHEMIC AGENTS TOA EIYO, LTD. (JP) 1998-03-17 US disclosed
EP-0661266-A1 Substituted cyclic amine compounds as 5HT2 antagonists TOA EIYO LTD. (JP) 1995-07-05 EP disclosed