SCHEMBL4746508

SCHEMBL4746508

CCNC(=O)N(C)c1nc2ccc(C(=O)O)cc2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 4/20 0.48
NFKB1 P19838 3/20 0.48
NFKB2 Q00653 3/20 0.48
RELA Q04206 3/20 0.48
LMNA P02545 2/20 0.48
KDM4E B2RXH2 2/20 0.48
TP53 P04637 2/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
MITF O75030 2/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL24988088 0.81 HTT (0.62) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL4746047 0.76 ABL1 (0.70) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL25407506 0.75 TMPRSS15 (0.68) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL19921646 0.75 HSD17B10 (0.60) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL25410164 0.75 TMPRSS15 (0.62) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL25407170 0.74 TMPRSS15 (0.68) SMN1; SMN2NFKB1NFKB2RELALMNA
SCHEMBL29947433 0.73 HSD17B1 (0.60) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL25408657 0.73 TMPRSS15 (0.68) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL24730459 0.73 HSD17B1 (0.60) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL6631884 0.73 SMN1; SMN2 (0.57) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1

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-2008124393-A1 BENZOTHIAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-10-16 WO disclosed