SCHEMBL11856795

SCHEMBL11856795

O=c1c2ccccc2cnn1Sc1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.58
▸ RAB9A P51151 7/20 0.58
▸ SMN1; SMN2 Q16637 6/20 0.58
▸ LMNA P02545 2/20 0.58
▸ ALDH1A1 P00352 4/20 0.48
▸ KDM4E B2RXH2 3/20 0.42
▸ APOBEC3G Q9HC16 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ PLA2G10 O15496 1/20 0.39
▸ TP53 P04637 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ MITF O75030 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) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL11845316 0.88 NPC1 (0.46) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL30376059 0.88 NPC1 (0.46) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL11845571 0.85 POLB (0.42) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL11852316 0.77 ALDH1A1 (0.44) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL11854305 0.77 NPC1 (0.43) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL6281567 0.76 NPC1 (0.55) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL11839919 0.76 ALDH1A1 (0.43) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL11849260 0.74 NPC1 (0.49) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL11868895 0.74 NPC1 (0.47) NPC1RAB9ASMN1; SMN2LMNAALDH1A1

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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