SCHEMBL7426136

SCHEMBL7426136

Nc1ccccc1-c1csc(C(=O)c2nc(-c3ccccc3N)cs2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.53
▸ AR P10275 1/20 0.47
▸ HSD17B10 Q99714 3/20 0.44
▸ MPL P40238 1/20 0.44
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ SCN9A Q15858 1/20 0.41
▸ HTR2C P28335 2/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ TP53 P04637 2/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GAA P10253 1/20 0.39

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
SCHEMBL4367503 0.92 SMN1; SMN2 (0.55) SMN1; SMN2ARHSD17B10MPLCYP3A4
SCHEMBL2221441 0.80 ALDH1A1 (0.49) SMN1; SMN2HSD17B10RAB9ANPC1ALDH1A1
SCHEMBL4367505 0.78 HSD17B10 (0.67) SMN1; SMN2ARHSD17B10MPLCYP3A4
SCHEMBL27458875 0.78 PRKCZ (0.44) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL6686667 0.75 HTR2B (0.56) SMN1; SMN2HSD17B10CYP3A4CYP2D6CYP2C9
SCHEMBL27789995 0.75 ALDH1A1 (0.55) SMN1; SMN2HSD17B10CYP3A4CYP2C9RAB9A
SCHEMBL10967054 0.75 TYR (0.52) SMN1; SMN2HSD17B10RAB9ANPC1TP53
SCHEMBL6664901 0.74 ATP4A (0.58) SMN1; SMN2CYP3A4CYP2D6CYP2C9SCN9A
SCHEMBL6660568 0.74 ATP4A (0.58) SMN1; SMN2CYP3A4CYP2D6CYP2C9SCN9A
SCHEMBL5999201 0.74 MPL (0.61) SMN1; SMN2MPLCYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1399634-A Hydroxyalkanoyl aminolactams and related structure as inhibitors of A beta protein production BRISTOL MYERS SQUIBB PHARMA IN (US) 2003-02-26 — — CN disclosed
EP-1212306-A2 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF ABETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2002-06-12 — — EP disclosed
WO-2001019797-A2 HYDROXYALKANOYL AMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF Aβ PROTEIN PRODUCTION DU PONT PHARMACEUTICALS COMPANY (US) 2001-03-22 — — WO disclosed
CN-1129442-A Benzodiazepine * derivatives YAMANOUCHI PHARMA CO LTD (JP) 1996-08-21 — — CN disclosed
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