SCHEMBL9506146

SCHEMBL9506146

CCc1ccc(-c2cnc(-c3cc(F)c(C#N)c(F)c3)nc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.38
FASN P49327 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
CYP11B1 P15538 6/20 0.37
CYP11B2 P19099 6/20 0.37
PDE9A O76083 2/20 0.37
EGLN2 Q96KS0 2/20 0.36
XDH P47989 1/20 0.35
METAP2 P50579 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL9506512 0.89 RAB9A (0.40) FASNTRPV4CYP11B1CYP11B2EGLN2
SCHEMBL9506653 0.87 RAB9A (0.45) FASNKMT2AMEN1NPC1RAB9A
SCHEMBL9511660 0.87 TRPV4 (0.39) CYP2A6FASNTRPV4CYP11B1CYP11B2
SCHEMBL9506406 0.86 MAPT (0.50) KMT2AMEN1NPC1RAB9A
SCHEMBL10557295 0.85 CYP11B1 (0.50) CYP11B1CYP11B2XDH
SCHEMBL9507836 0.85 HSD17B10 (0.52) KMT2AMEN1NPC1RAB9A
SCHEMBL9506361 0.85 HSD17B10 (0.52) KMT2AMEN1NPC1RAB9A
SCHEMBL9509921 0.85 HSD17B10 (0.52) KMT2AMEN1NPC1RAB9A
SCHEMBL9506648 0.85 HSD17B10 (0.52) KMT2AMEN1NPC1RAB9A
SCHEMBL9506395 0.85 HSD17B10 (0.52) KMT2AMEN1NPC1RAB9A

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-0317175-B1 PYRIMIDINE DERIVATIVES SEIKO EPSON CORPORATION (JP) 1993-09-22 EP claimed
EP-0317175-A2 Pyrimidine derivatives SEIKO EPSON CORPORATION (JP) 1989-05-24 EP claimed
EP-0317175-B1 PYRIMIDINE DERIVATIVES SEIKO EPSON CORPORATION (JP) 1993-09-22 EP disclosed
EP-0317175-A2 Pyrimidine derivatives SEIKO EPSON CORPORATION (JP) 1989-05-24 EP disclosed