SCHEMBL11765083

SCHEMBL11765083

O=C(c1nc2ccccc2[nH]1)c1ccco1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.60
SMN1; SMN2 Q16637 7/20 0.60
RAB9A P51151 6/20 0.60
POLB P06746 4/20 0.56
NPC1 O15118 3/20 0.56
CCND3 P30281 1/20 0.55
CDK6 Q00534 1/20 0.55
ALDH1A1 P00352 7/20 0.55
HPGD P15428 5/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55
MAPT P10636 6/20 0.53
TDP1 Q9NUW8 2/20 0.53
TP53 P04637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
HTT P42858 1/20 0.49
RECQL P46063 1/20 0.49

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
SCHEMBL250171 0.85 CCND3 (0.70) KDM4ESMN1; SMN2RAB9ANPC1CCND3
Hydrochloric Acid SCHEMBL7000982 0.84 CCND3 (0.68) KDM4ESMN1; SMN2RAB9ANPC1CCND3
SCHEMBL7199487 0.77 CCND3 (0.69) RAB9ANPC1CCND3CDK6HPGD
SCHEMBL3966827 0.76 CCND3 (0.67) KDM4ESMN1; SMN2RAB9APOLBNPC1
SCHEMBL11769181 0.75 RAB9A (0.67) KDM4ESMN1; SMN2RAB9APOLBNPC1
SCHEMBL11708726 0.75 NPC1 (0.66) KDM4ESMN1; SMN2RAB9APOLBNPC1
SCHEMBL3417204 0.74 CCND3 (0.60) KDM4ESMN1; SMN2RAB9ANPC1CCND3
SCHEMBL27576939 0.74 CCND3 (0.64) RAB9ANPC1CCND3CDK6MAPT
SCHEMBL5358948 0.73 AURKA (0.61) KDM4ESMN1; SMN2RAB9ANPC1CCND3
SCHEMBL29414293 0.73 AURKA (0.61) KDM4ESMN1; SMN2RAB9ANPC1CCND3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4018789-A 5-Substituted-2-(2')-benzimidazoyl-furans SANDOZ LTD. (CH) 1977-04-19 US disclosed