SCHEMBL9729172

SCHEMBL9729172

Cc1csc(NC(=O)Nc2c(C(C)C)cccc2C(C)C)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.56
NPC1 O15118 5/20 0.56
MAPT P10636 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
LMNA P02545 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
POLB P06746 2/20 0.54
ALDH1A1 P00352 2/20 0.51
MAPK1 P28482 1/20 0.51
SMARCA2 P51531 1/20 0.49
SMARCA4 P51532 1/20 0.49
HPGD P15428 2/20 0.49
SHMT2 P34897 1/20 0.48
HTT P42858 3/20 0.48
GCK P35557 1/20 0.48
GRM5 P41594 1/20 0.48
KDM4E B2RXH2 1/20 0.48
TP53 P04637 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL9729377 0.83 NPC1 (0.63) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL9729076 0.82 MAPT (0.64) RAB9AMAPTSMN1; SMN2LMNAMEN1
SCHEMBL10816647 0.81 RAB9A (0.71) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL462304 0.79 LPAR1 (0.66) SMN1; SMN2LMNAMEN1KMT2ALPAR1
SCHEMBL9729953 0.78
SCHEMBL9728949 0.78
SCHEMBL18236206 0.76 RAB9A (0.74) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL10798732 0.73 MAPT (0.62) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL9723517 0.72 KMT2A (0.61) SMN1; SMN2LMNAMEN1KMT2ALPAR1
SCHEMBL4919310 0.72 MAPT (1.00) RAB9ANPC1MAPTSMN1; SMN2LMNA

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-5162360-A Treating hypercholesterolemia and atherosclerosis; ACAT acyl-coenzyme A:-cholesterol acyltransferase WARNER-LAMBERT COMPANY (US) 1992-11-10 US disclosed