SCHEMBL11845571

SCHEMBL11845571

Cc1ccc(Sn2ncc3ccccc3c2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.42
▸ NPC1 O15118 8/20 0.42
▸ RAB9A P51151 8/20 0.42
▸ SMN1; SMN2 Q16637 6/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ PRNP P04156 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.39
▸ PLA2G10 O15496 1/20 0.39
▸ NTSR1 P30989 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL11850347 0.92 ALDH1A1 (0.47) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL30376059 0.88 NPC1 (0.46) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11845316 0.88 NPC1 (0.46) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11856795 0.85 NPC1 (0.58) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11854305 0.82 NPC1 (0.43) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11849260 0.78 NPC1 (0.49) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11852316 0.77 ALDH1A1 (0.44) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11839919 0.76 ALDH1A1 (0.43) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11868895 0.74 NPC1 (0.47) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11851226 0.74 NPC1 (0.44) POLBNPC1RAB9ASMN1; SMN2ALDH1A1

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
US-3993633-A 2(1(2H)-phthalazinone)sulfenamides vulcanization inhibitors MONSANTO COMPANY (US) 1976-11-23 — — US disclosed
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