SCHEMBL6934964

SCHEMBL6934964

Nc1ccc(Sc2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.62
NPC1 O15118 7/20 0.62
SMN1; SMN2 Q16637 5/20 0.62
HTT P42858 3/20 0.62
CA12 O43570 2/20 0.61
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
CA9 Q16790 2/20 0.61
MAPT P10636 4/20 0.57
LMNA P02545 1/20 0.57
KDM4E B2RXH2 2/20 0.54
KLK7 P49862 1/20 0.54
GAA P10253 1/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 1/20 0.52
HRH3 Q9Y5N1 2/20 0.50
POLB P06746 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 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
SCHEMBL8095658 0.84 NPC1 (0.70) RAB9ANPC1SMN1; SMN2HTTCA12
SCHEMBL6934961 0.84 RAB9A (0.54) RAB9ANPC1SMN1; SMN2HTTCA12
SCHEMBL6940440 0.83 MEN1 (0.67) RAB9ANPC1SMN1; SMN2HTTCA12
SCHEMBL27193044 0.78 RAB9A (0.77) RAB9ANPC1SMN1; SMN2HTTCA12
SCHEMBL16946643 0.77 MAPT (0.76) RAB9ANPC1SMN1; SMN2HTTCA12
SCHEMBL17609477 0.77 RAB9A (1.00) RAB9ANPC1SMN1; SMN2HTTCA12
SCHEMBL672116 0.76 CA2 (1.00) RAB9ANPC1SMN1; SMN2HTTCA12
SCHEMBL15133005 0.75 RAB9A (0.68) RAB9ANPC1SMN1; SMN2HTTCA12
SCHEMBL9004635 0.75 RAB9A (0.63) RAB9ANPC1SMN1; SMN2HTTCA12
SCHEMBL31067729 0.74 RAB9A (0.76) RAB9ANPC1SMN1; SMN2HTTCA12

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042278-B1 1,3-DISUBSTITUTED UREAS AS ACAT INHIBITORS, AND METHOD OF PREPARING THEREOF SLOVAKOFARMA AS (SK) 2003-03-05 EP disclosed
US-6444691-B1 ANTICHOLESTEROL AGENTS SOLVAKOFARMA, A.S. (SK) 2002-09-03 US disclosed
EP-1042278-A1 1,3-DISUBSTITUTED UREAS AS ACAT INHIBITORS, AND METHOD OF PREPARING THEREOF Slovakofarma, A.S. (SK) 2000-10-11 EP disclosed
WO-1999032437-A1 1,3-DISUBSTITUTED UREAS AS ACAT INHIBITORS, AND METHOD OF PREPARING THEREOF SLOVAKOFARMA, A.S. (SK) 1999-07-01 WO disclosed