SCHEMBL9507851

SCHEMBL9507851

CCCOc1ccc(-c2cnc(-c3cc(F)c(C#N)c(F)c3)nc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.45
RAB9A P51151 6/20 0.45
NPC1 O15118 5/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
HSD17B10 Q99714 4/20 0.45
ALDH1A1 P00352 9/20 0.41
HPGD P15428 6/20 0.41
MAPT P10636 5/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
RARA P10276 1/20 0.39
RARB P10826 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 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
SCHEMBL9506551 0.96 KDM4E (0.50) KDM4ERAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL9506414 0.94 KDM4E (0.50) KDM4ERAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL9506105 0.93 KDM4E (0.52) KDM4ERAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL9506339 0.93 KDM4E (0.52) KDM4ERAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL9506037 0.93 KDM4E (0.52) KDM4ERAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL9507867 0.93 KDM4E (0.52) KDM4ERAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL9506375 0.93 KDM4E (0.52) KDM4ERAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL9506393 0.93 KDM4E (0.52) KDM4ERAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL9507799 0.93 KDM4E (0.52) KDM4ERAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL9506392 0.91 CYP11B1 (0.49) KDM4ERAB9ANPC1HSD17B10ALDH1A1

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