SCHEMBL14308050

SCHEMBL14308050

CC(C)(C)c1csc(NC(=O)C(C)(C)[SH](C)(=O)c2ccc(C#N)cc2F)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.41
▸ RAB9A P51151 7/20 0.41
▸ KMT2A Q03164 6/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ MEN1 O00255 5/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ MAPK1 P28482 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ TAS1R3 Q7RTX0 1/20 0.41
▸ TAS1R1 Q7RTX1 1/20 0.41
▸ TAS1R2 Q8TE23 1/20 0.41
▸ LMNA P02545 4/20 0.40
▸ NPSR1 Q6W5P4 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ MAPT P10636 2/20 0.40

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
SCHEMBL1464366 0.79 SLC22A12 (0.42) NPC1RAB9AKMT2AALDH1A1MEN1
SCHEMBL1464422 0.79 NPC1 (0.42) NPC1RAB9AKMT2AALDH1A1MEN1
SCHEMBL20769713 0.70 NPC1 (0.57) NPC1RAB9AKMT2AALDH1A1MEN1
SCHEMBL77451 0.68 ATAD2 (0.61) NPC1RAB9AKMT2AALDH1A1MEN1
SCHEMBL20769721 0.67 ALDH1A1 (0.52) NPC1RAB9AKMT2AALDH1A1MEN1
SCHEMBL12102170 0.65 NPC1 (0.46) NPC1RAB9AKMT2AALDH1A1MEN1
SCHEMBL1464756 0.65 NPC1 (0.46) NPC1RAB9AKMT2AALDH1A1MEN1
SCHEMBL20788543 0.65 NPC1 (0.77) NPC1RAB9AKMT2AALDH1A1MEN1
SCHEMBL21484891 0.64 ALDH1A1 (0.59) NPC1RAB9AKMT2AALDH1A1MEN1
SCHEMBL3790984 0.64 NPC1 (0.66) NPC1RAB9AKMT2AALDH1A1MEN1

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-2008014199-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-31 — — WO disclosed
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