SCHEMBL9506512

SCHEMBL9506512

CCCc1ccc(-c2cnc(-c3cc(F)c(C#N)c(F)c3)nc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.40
HSD17B10 Q99714 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 3/20 0.40
NPC1 O15118 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PKM P14618 1/20 0.40
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
FASN P49327 1/20 0.36
CYP11B1 P15538 4/20 0.36
CYP11B2 P19099 4/20 0.36
TRPV4 Q9HBA0 1/20 0.36

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
SCHEMBL9506653 0.92 RAB9A (0.45) RAB9AHSD17B10SMN1; SMN2MAPTNPC1
SCHEMBL9506406 0.91 MAPT (0.50) RAB9AHSD17B10SMN1; SMN2MAPTNPC1
SCHEMBL9506494 0.90 HSD17B10 (0.52) RAB9AHSD17B10SMN1; SMN2MAPTNPC1
SCHEMBL9506361 0.90 HSD17B10 (0.52) RAB9AHSD17B10SMN1; SMN2MAPTNPC1
SCHEMBL9506398 0.90 HSD17B10 (0.52) RAB9AHSD17B10SMN1; SMN2MAPTNPC1
SCHEMBL9506648 0.90 HSD17B10 (0.52) RAB9AHSD17B10SMN1; SMN2MAPTNPC1
SCHEMBL9506395 0.90 HSD17B10 (0.52) RAB9AHSD17B10SMN1; SMN2MAPTNPC1
SCHEMBL9509921 0.90 HSD17B10 (0.52) RAB9AHSD17B10SMN1; SMN2MAPTNPC1
SCHEMBL9507836 0.90 HSD17B10 (0.52) RAB9AHSD17B10SMN1; SMN2MAPTNPC1
SCHEMBL9506146 0.89 CYP2A6 (0.38) RAB9ANPC1MEN1KMT2AFASN

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