SCHEMBL8710976

SCHEMBL8710976

COc1ccccc1NC(=O)c1ccc(CCl)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
AHR P35869 1/20 0.63
MLYCD O95822 1/20 0.63
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
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
KDM4E B2RXH2 1/20 0.58
CASP3 P42574 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
HPGD P15428 1/20 0.57
PKM P14618 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.56

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) MEN1KMT2AAHRMLYCDPOLB
SCHEMBL8716505 0.86 KMT2A (0.65) MEN1KMT2AAHRMLYCDPOLB
SCHEMBL8714744 0.84 HDAC1 (0.65) MEN1KMT2AAHRMLYCDPOLB
SCHEMBL2022505 0.83 ALDH1A1 (0.71) MEN1KMT2AAHRPOLBNPC1
SCHEMBL8710838 0.83 HDAC1 (0.62) MEN1KMT2AAHRMLYCDPOLB
SCHEMBL527994 0.83 RAB9A (0.77) MEN1KMT2AAHRMLYCDPABPC1
SCHEMBL29989592 0.83 RAB9A (0.77) MEN1KMT2AAHRMLYCDPABPC1
SCHEMBL9620772 0.82 F10 (0.81) MEN1KMT2AAHRMLYCDPABPC1
SCHEMBL8970971 0.82 POLB (0.70) MEN1KMT2AAHRMLYCDPOLB
SCHEMBL9620767 0.82 MLYCD (0.69) MEN1KMT2AAHRMLYCDPOLB

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