SCHEMBL20051805

SCHEMBL20051805

O=CNc1cc(-c2cccc(Cl)c2)cnn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.47
GABRG2 P18507 6/20 0.44
GABRB3 P28472 6/20 0.44
GABRA5 P31644 6/20 0.44
GABRA3 P34903 6/20 0.44
GABRA1 P14867 3/20 0.44
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NOTUM Q6P988 2/20 0.39
DAPK3 O43293 1/20 0.36
TET3 O43151 1/20 0.36
BBOX1 O75936 1/20 0.36
VEGFA P15692 1/20 0.36
FLT1 P17948 1/20 0.36

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
SCHEMBL10535235 0.80 GABRG2 (0.48) USP30GABRG2GABRB3GABRA5GABRA3
SCHEMBL2320835 0.78 FLT1 (0.44) NPC1RAB9ASMN1; SMN2TET3BBOX1
SCHEMBL10538628 0.74 NOTUM (0.47) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL22594332 0.69 NPC1 (0.59) USP30NPC1TP53TSHRNFKB1
SCHEMBL23604037 0.68 NOTUM (0.41) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL817554 0.66 ALOX5 (0.65) NPC1TP53TSHRNFKB1RAB9A
SCHEMBL31222672 0.66 ALOX5 (0.65) NPC1TP53TSHRNFKB1RAB9A
SCHEMBL31040042 0.65 NOTUM (0.46) NPC1TP53TSHRNFKB1RAB9A
SCHEMBL57437 0.64 ALDH1A1 (0.54) NPC1TSHRRAB9ASMN1; SMN2IDO1
SCHEMBL13039531 0.64 ALDH1A1 (0.54) NPC1TSHRRAB9ASMN1; SMN2IDO1

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-2018065768-A1 CYANO-SUBSTITUTED HETEROCYCLES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LIMITED (GB) 2018-04-12 WO disclosed