SCHEMBL9506551

SCHEMBL9506551

CCCCOc1ccc(-c2cnc(-c3cc(F)c(C#N)c(F)c3)nc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 3/20 0.45
CYP2D6 P10635 5/20 0.44
CYP3A4 P08684 3/20 0.44
RARB P10826 4/20 0.44
RARA P10276 1/20 0.44
CYP19A1 P11511 4/20 0.43
CYP2C9 P11712 4/20 0.43
CYP2C19 P33261 4/20 0.43
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL9506414 0.98 KDM4E (0.50) KDM4ENPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL9507867 0.96 KDM4E (0.52) KDM4ENPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL9506393 0.96 KDM4E (0.52) KDM4ENPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL9506105 0.96 KDM4E (0.52) KDM4ENPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL9507799 0.96 KDM4E (0.52) KDM4ENPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL9506339 0.96 KDM4E (0.52) KDM4ENPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL9506375 0.96 KDM4E (0.52) KDM4ENPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL9506037 0.96 KDM4E (0.52) KDM4ENPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL9507851 0.96 KDM4E (0.45) KDM4ENPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL9506392 0.90 CYP11B1 (0.49) KDM4ENPC1RAB9AHSD17B10ALDH1A1

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