SCHEMBL7976807

SCHEMBL7976807

[CH2]CCc1nc(-c2ccccn2)no1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 17/20 0.71
RAB9A P51151 16/20 0.71
SMN1; SMN2 Q16637 15/20 0.71
ALDH1A1 P00352 5/20 0.64
NPSR1 Q6W5P4 2/20 0.64
HTT P42858 4/20 0.62
TSHR P16473 4/20 0.61
KDM4E B2RXH2 1/20 0.61
S1PR1 P21453 1/20 0.57
TP53 P04637 5/20 0.56
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 2/20 0.56
RELA Q04206 2/20 0.56
GAA P10253 1/20 0.56
RECQL P46063 1/20 0.54
PKM P14618 3/20 0.54
HSD17B10 Q99714 2/20 0.53
MAPT P10636 1/20 0.53
POLB P06746 1/20 0.52
USP2 O75604 1/20 0.52

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
SCHEMBL11947463 0.84 NPC1 (0.71) NPC1RAB9ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL26525964 0.82 NPC1 (0.72) NPC1RAB9ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL4037120 0.82 NPC1 (0.72) NPC1RAB9ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL334041 0.81 NPC1 (0.68) NPC1RAB9ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL8900290 0.81 NPC1 (0.68) NPC1RAB9ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL12380049 0.80 NPC1 (0.69) NPC1RAB9ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL3517537 0.80 NPC1 (0.68) NPC1RAB9ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL5206454 0.79 NPC1 (0.63) NPC1RAB9ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL5717831 0.77 NPC1 (0.70) NPC1RAB9ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL5717616 0.77 NPC1 (0.66) NPC1RAB9ASMN1; SMN2ALDH1A1NPSR1

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
WO-2001007409-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA UK LIMITED (GB) 2001-02-01 WO disclosed