SCHEMBL9506653

SCHEMBL9506653

CCCCc1ccc(-c2cnc(-c3cc(F)c(C#N)c(F)c3)nc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
HSD17B10 Q99714 2/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
RARB P10826 10/20 0.41
RARA P10276 2/20 0.41
RARG P13631 1/20 0.41
NPC1 O15118 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
NFKB2 Q00653 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
SCHEMBL9506406 0.96 MAPT (0.50) RAB9ASMN1; SMN2ALDH1A1MAPTHSD17B10
SCHEMBL9506395 0.95 HSD17B10 (0.52) RAB9ASMN1; SMN2ALDH1A1MAPTHSD17B10
SCHEMBL9506398 0.95 HSD17B10 (0.52) RAB9ASMN1; SMN2ALDH1A1MAPTHSD17B10
SCHEMBL9506494 0.95 HSD17B10 (0.52) RAB9ASMN1; SMN2ALDH1A1MAPTHSD17B10
SCHEMBL9507836 0.95 HSD17B10 (0.52) RAB9ASMN1; SMN2ALDH1A1MAPTHSD17B10
SCHEMBL9506648 0.95 HSD17B10 (0.52) RAB9ASMN1; SMN2ALDH1A1MAPTHSD17B10
SCHEMBL9506361 0.95 HSD17B10 (0.52) RAB9ASMN1; SMN2ALDH1A1MAPTHSD17B10
SCHEMBL9509921 0.95 HSD17B10 (0.52) RAB9ASMN1; SMN2ALDH1A1MAPTHSD17B10
SCHEMBL9506512 0.92 RAB9A (0.40) RAB9ASMN1; SMN2ALDH1A1MAPTHSD17B10
SCHEMBL9511175 0.88 RARB (0.41) RAB9ASMN1; SMN2ALDH1A1MAPTHSD17B10

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 6 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
US-4883609-A LIQUID CRYSTALS SEIKO EPSON CORPORATION (JP) 1989-11-28 US 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
US-4883609-A LIQUID CRYSTALS SEIKO EPSON CORPORATION (JP) 1989-11-28 US disclosed
EP-0317175-A2 Pyrimidine derivatives SEIKO EPSON CORPORATION (JP) 1989-05-24 EP disclosed