SCHEMBL8714717

SCHEMBL8714717

COc1ccccc1NC(=O)c1ccncc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.73
MAPT P10636 2/20 0.72
SMN1; SMN2 Q16637 3/20 0.67
NAMPT P43490 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.65
PABPC1 P11940 1/20 0.65
APOBEC3A P31941 1/20 0.65
EIF4H Q15056 1/20 0.65
APOBEC3G Q9HC16 1/20 0.65
KMT2A Q03164 2/20 0.63
MEN1 O00255 1/20 0.63
AHR P35869 1/20 0.63
MLYCD O95822 1/20 0.63
TP53 P04637 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
HSD17B10 Q99714 1/20 0.61
HPGD P15428 1/20 0.61
RAB9A P51151 3/20 0.60
NPC1 O15118 2/20 0.60
P4HTM Q9NXG6 1/20 0.59

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
SCHEMBL19076168 0.88 SNCA (0.65) GAAMAPTSMN1; SMN2NAMPTL3MBTL1
SCHEMBL527994 0.87 RAB9A (0.77) MAPTPABPC1APOBEC3AEIF4HAPOBEC3G
SCHEMBL29989592 0.87 RAB9A (0.77) MAPTPABPC1APOBEC3AEIF4HAPOBEC3G
SCHEMBL25309222 0.85 MAPT (0.72) GAAMAPTSMN1; SMN2PABPC1APOBEC3A
SCHEMBL29989633 0.84 MAPT (1.00) MAPTSMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL4651272 0.84 MAPT (1.00) MAPTSMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL16681360 0.83 KMT2A (0.76) MAPTPABPC1APOBEC3AEIF4HAPOBEC3G
SCHEMBL8970971 0.83 POLB (0.70) MAPTSMN1; SMN2PABPC1APOBEC3AEIF4H
SCHEMBL9620772 0.83 F10 (0.81) GAAMAPTSMN1; SMN2PABPC1APOBEC3A
SCHEMBL9620767 0.83 MLYCD (0.69) GAAMAPTPABPC1APOBEC3AEIF4H

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