SCHEMBL9506414

SCHEMBL9506414

CCCCCOc1ccc(-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 7/20 0.50
ALDH1A1 P00352 5/20 0.50
HPGD P15428 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
HTT P42858 1/20 0.50
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HSD17B10 Q99714 2/20 0.48
MAPT P10636 4/20 0.43
RARB P10826 5/20 0.43
CYP2D6 P10635 4/20 0.43
CYP3A4 P08684 2/20 0.43
RARA P10276 1/20 0.42
CYP19A1 P11511 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL9506105 0.99 KDM4E (0.52) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL9506339 0.99 KDM4E (0.52) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL9506393 0.99 KDM4E (0.52) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL9507867 0.99 KDM4E (0.52) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL9506037 0.99 KDM4E (0.52) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL9507799 0.99 KDM4E (0.52) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL9506375 0.99 KDM4E (0.52) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL9506551 0.98 KDM4E (0.50) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL9507851 0.94 KDM4E (0.45) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL9618076 0.89 KDM4E (0.51) KDM4EALDH1A1HPGDL3MBTL1HTT

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