SCHEMBL9506398

SCHEMBL9506398

CCCCCCc1ccc(-c2cnc(-c3cc(F)c(C#N)c(F)c3)nc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.52
TSHR P16473 1/20 0.52
MAPT P10636 3/20 0.52
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
USP2 O75604 1/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
RARB P10826 10/20 0.48
RARA P10276 2/20 0.48
RARG P13631 1/20 0.48
MTOR P42345 1/20 0.42
HTR2A P28223 1/20 0.39
NPC1 O15118 1/20 0.39
STAT3 P40763 1/20 0.39
ATM Q13315 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
SCHEMBL9506494 1.00 HSD17B10 (0.52) HSD17B10TSHRMAPTMEN1ALDH1A1
SCHEMBL9506648 1.00 HSD17B10 (0.52) HSD17B10TSHRMAPTMEN1ALDH1A1
SCHEMBL9507836 1.00 HSD17B10 (0.52) HSD17B10TSHRMAPTMEN1ALDH1A1
SCHEMBL9506395 1.00 HSD17B10 (0.52) HSD17B10TSHRMAPTMEN1ALDH1A1
SCHEMBL9506361 1.00 HSD17B10 (0.52) HSD17B10TSHRMAPTMEN1ALDH1A1
SCHEMBL9509921 1.00 HSD17B10 (0.52) HSD17B10TSHRMAPTMEN1ALDH1A1
SCHEMBL9506406 0.99 MAPT (0.50) HSD17B10TSHRMAPTMEN1ALDH1A1
SCHEMBL9506653 0.95 RAB9A (0.45) HSD17B10TSHRMAPTMEN1ALDH1A1
SCHEMBL9506512 0.90 RAB9A (0.40) HSD17B10TSHRMAPTMEN1ALDH1A1
SCHEMBL9511610 0.89 RARB (0.48) HSD17B10TSHRMAPTMEN1ALDH1A1

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