SCHEMBL20503145

SCHEMBL20503145

c1ccc2[nH]c(-c3cccc4[nH]cnc34)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.55
RAB9A P51151 9/20 0.55
ALDH1A1 P00352 7/20 0.55
KDM4E B2RXH2 7/20 0.55
SMN1; SMN2 Q16637 6/20 0.55
HPGD P15428 5/20 0.55
NPSR1 Q6W5P4 4/20 0.55
HSD17B10 Q99714 3/20 0.55
PKM P14618 3/20 0.55
GAA P10253 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
GPR55 Q9Y2T6 1/20 0.55
GLA P06280 1/20 0.55
MAPT P10636 1/20 0.55
HTT P42858 1/20 0.55
ABCB11 O95342 1/20 0.55
TP53 P04637 1/20 0.55
GBA1 P04062 1/20 0.54
CDK1 P06493 1/20 0.54
CDK2 P24941 1/20 0.54

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
SCHEMBL251370 0.80 NPC1 (0.68) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL227743 0.79 NPC1 (0.78) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL12603044 0.78 CDK1 (0.66) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL28116783 0.78 NPC1 (0.72) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL20878376 0.77 BRD4 (0.56) ALDH1A1SMN1; SMN2HPGDMAPTHTT
SCHEMBL297468 0.76 RAB9A (0.67) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL28426754 0.76 BRD4 (0.46) ALDH1A1MTOR
SCHEMBL6746143 0.75 NPC1 (0.55) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL18268518 0.75 NPC1 (0.55) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL3336641 0.75 NPC1 (0.64) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2

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
EP-3378476-A1 H4 RECEPTOR INHIBITORS FOR TREATING TINNITUS Sensorion (FR) 2018-09-26 EP disclosed