SCHEMBL9506037

SCHEMBL9506037

CCCCCCOc1ccc(-c2cnc(-c3cc(F)c(C#N)c(F)c3)nc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.52
HPGD P15428 3/20 0.52
ALDH1A1 P00352 3/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RARB P10826 5/20 0.45
MAPT P10636 3/20 0.43
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
RARA P10276 1/20 0.41
CYP19A1 P11511 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 1/20 0.40
NR5A1 Q13285 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL9506339 1.00 KDM4E (0.52) KDM4EHPGDALDH1A1HTTL3MBTL1
SCHEMBL9506105 1.00 KDM4E (0.52) KDM4EHPGDALDH1A1HTTL3MBTL1
SCHEMBL9506393 1.00 KDM4E (0.52) KDM4EHPGDALDH1A1HTTL3MBTL1
SCHEMBL9506375 1.00 KDM4E (0.52) KDM4EHPGDALDH1A1HTTL3MBTL1
SCHEMBL9507867 1.00 KDM4E (0.52) KDM4EHPGDALDH1A1HTTL3MBTL1
SCHEMBL9507799 1.00 KDM4E (0.52) KDM4EHPGDALDH1A1HTTL3MBTL1
SCHEMBL9506414 0.99 KDM4E (0.50) KDM4EHPGDALDH1A1HTTL3MBTL1
SCHEMBL9506551 0.96 KDM4E (0.50) KDM4EHPGDALDH1A1HTTL3MBTL1
SCHEMBL9507851 0.93 KDM4E (0.45) KDM4EHPGDALDH1A1HTTL3MBTL1
SCHEMBL14480433 0.89 KDM4E (0.53) KDM4EHPGDALDH1A1HTTL3MBTL1

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