SCHEMBL6943804

SCHEMBL6943804

Nc1ccc(Oc2ccccc2NC(=O)Nc2ccc(F)cc2F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 5/20 0.58
RAB9A P51151 3/20 0.56
NPC1 O15118 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HTT P42858 2/20 0.56
PKM P14618 1/20 0.54
RECQL P46063 1/20 0.53
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA9 Q16790 2/20 0.52
KMT2A Q03164 2/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
PDGFRA P16234 2/20 0.48
KDR P35968 2/20 0.48
KIT P10721 1/20 0.48
FGFR2 P21802 1/20 0.48
AXL P30530 1/20 0.48
POLB P06746 2/20 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 0.85 NPC1 (0.70) RAB9ANPC1SMN1; SMN2HTTCA12
SCHEMBL6940403 0.83 MAPT (0.61) P2RY1RAB9ANPC1SMN1; SMN2HTT
SCHEMBL3159880 0.79 P2RY1 (0.72) P2RY1RAB9ANPC1SMN1; SMN2HTT
SCHEMBL6934961 0.77 RAB9A (0.54) P2RY1RAB9ANPC1SMN1; SMN2HTT
SCHEMBL8103125 0.77 P2RY1 (0.55) P2RY1RAB9ASMN1; SMN2HTTCA12
SCHEMBL7070334 0.76 GAA (0.56) RAB9ANPC1SMN1; SMN2PKMCA12
SCHEMBL6943396 0.76 ALDH1A1 (0.61) RAB9ANPC1CA12CA1CA2
SCHEMBL27193044 0.76 RAB9A (0.77) RAB9ANPC1SMN1; SMN2HTTPKM
SCHEMBL4865713 0.76 ADRA2C (0.54) RAB9ASMN1; SMN2PKMCA12CA1
SCHEMBL6943988 0.74 MAPT (0.59) 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