SCHEMBL9696735

SCHEMBL9696735

Cc1ccc(C(=S)Nc2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.64
RAB9A P51151 5/20 0.64
HPGD P15428 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.61
ALDH1A1 P00352 1/20 0.61
MAPT P10636 1/20 0.53
TSHR P16473 1/20 0.52
HDAC3 O15379 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
EPHX2 P34913 1/20 0.50
NR1H4 Q96RI1 1/20 0.50
TRPV1 Q8NER1 3/20 0.49
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL28470795 0.84 NPC1 (0.60) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL1687867 0.81 NPC1 (0.79) NPC1RAB9ASMN1; SMN2MAPTHDAC3
SCHEMBL7291713 0.81 NPC1 (0.79) NPC1RAB9ASMN1; SMN2MAPTHDAC3
SCHEMBL7293746 0.81 NPC1 (0.79) NPC1RAB9ASMN1; SMN2MAPTHDAC3
SCHEMBL2344788 0.80 KMT2A (0.68) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL28476713 0.78 NPC1 (0.85) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL30161852 0.78 NPC1 (1.00) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL9056724 0.77 TSHR (0.65) NPC1RAB9AHPGDALDH1A1MAPT
SCHEMBL28568878 0.77 KMT2A (0.65) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL2344118 0.77 KMT2A (0.65) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT

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-5135949-A Anticoagulants BOEHRINGER MANNHEIM GMBH (DE) 1992-08-04 US disclosed