SCHEMBL8095658

SCHEMBL8095658

Nc1ccc(Oc2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.70
RAB9A P51151 5/20 0.70
SMN1; SMN2 Q16637 4/20 0.70
CA12 O43570 2/20 0.67
CA1 P00915 2/20 0.67
CA2 P00918 2/20 0.67
CA9 Q16790 2/20 0.67
HTT P42858 2/20 0.62
MAPT P10636 2/20 0.61
LMNA P02545 1/20 0.61
HRH3 Q9Y5N1 5/20 0.59
KDR P35968 2/20 0.55
PDGFRA P16234 1/20 0.55
KDM4E B2RXH2 2/20 0.54
KLK7 P49862 1/20 0.54
GAA P10253 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL6943804 0.85 P2RY1 (0.58) NPC1RAB9ASMN1; SMN2CA12CA1
SCHEMBL6934964 0.84 RAB9A (0.62) NPC1RAB9ASMN1; SMN2CA12CA1
SCHEMBL8105102 0.83 MAPT (0.69) NPC1RAB9ASMN1; SMN2CA12CA1
SCHEMBL27193044 0.78 RAB9A (0.77) NPC1RAB9ASMN1; SMN2CA12CA1
SCHEMBL16946643 0.77 MAPT (0.76) NPC1RAB9ASMN1; SMN2CA12CA1
SCHEMBL17609477 0.77 RAB9A (1.00) NPC1RAB9ASMN1; SMN2CA12CA1
SCHEMBL19888870 0.77 RAF1 (0.68) NPC1RAB9ASMN1; SMN2CA9KDR
SCHEMBL4684136 0.76 PARP10 (0.44) NPC1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL672116 0.76 CA2 (1.00) NPC1RAB9ASMN1; SMN2CA12CA1
SCHEMBL15133005 0.75 RAB9A (0.68) NPC1RAB9ASMN1; SMN2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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