SCHEMBL8714744

SCHEMBL8714744

CNCc1ccc(C(=O)Nc2ccccc2OC)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.65
HDAC6 Q9UBN7 2/20 0.65
HDAC11 Q96DB2 1/20 0.65
MLYCD O95822 1/20 0.61
NAMPT P43490 2/20 0.61
POLB P06746 1/20 0.60
PABPC1 P11940 1/20 0.59
APOBEC3A P31941 1/20 0.59
EIF4H Q15056 1/20 0.59
APOBEC3G Q9HC16 1/20 0.59
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
AHR P35869 1/20 0.58
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
KDM4E B2RXH2 1/20 0.57
CASP3 P42574 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
HPGD P15428 1/20 0.56
HDAC2 Q92769 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 0.86 MLYCD (0.64) HDAC1HDAC6HDAC11MLYCDNAMPT
SCHEMBL8710976 0.84 MEN1 (0.63) HDAC1HDAC6HDAC11MLYCDNAMPT
SCHEMBL8716505 0.84 KMT2A (0.65) HDAC1HDAC6HDAC11MLYCDPOLB
Hydrochloric Acid SCHEMBL10695546 0.82 HDAC1 (0.65) HDAC1HDAC6HDAC11MLYCDNAMPT
SCHEMBL8710838 0.82 HDAC1 (0.62) HDAC1HDAC6HDAC11MLYCDNAMPT
SCHEMBL29989592 0.82 RAB9A (0.77) HDAC1HDAC6MLYCDPABPC1APOBEC3A
SCHEMBL527994 0.82 RAB9A (0.77) HDAC1HDAC6MLYCDPABPC1APOBEC3A
SCHEMBL9620772 0.81 F10 (0.81) HDAC1HDAC6HDAC11MLYCDPABPC1
SCHEMBL8970971 0.81 POLB (0.70) MLYCDPOLBPABPC1APOBEC3AEIF4H
SCHEMBL9620767 0.81 MLYCD (0.69) HDAC1MLYCDPOLBPABPC1APOBEC3A

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