SCHEMBL9506406

SCHEMBL9506406

CCCCCc1ccc(-c2cnc(-c3cc(F)c(C#N)c(F)c3)nc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HSD17B10 Q99714 2/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
USP2 O75604 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
RARB P10826 9/20 0.46
RARA P10276 2/20 0.46
RARG P13631 1/20 0.46
MTOR P42345 1/20 0.40
NPC1 O15118 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38

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 0.99 HSD17B10 (0.52) MAPTRAB9ASMN1; SMN2HSD17B10MEN1
SCHEMBL9506361 0.99 HSD17B10 (0.52) MAPTRAB9ASMN1; SMN2HSD17B10MEN1
SCHEMBL9506398 0.99 HSD17B10 (0.52) MAPTRAB9ASMN1; SMN2HSD17B10MEN1
SCHEMBL9506648 0.99 HSD17B10 (0.52) MAPTRAB9ASMN1; SMN2HSD17B10MEN1
SCHEMBL9506395 0.99 HSD17B10 (0.52) MAPTRAB9ASMN1; SMN2HSD17B10MEN1
SCHEMBL9507836 0.99 HSD17B10 (0.52) MAPTRAB9ASMN1; SMN2HSD17B10MEN1
SCHEMBL9509921 0.99 HSD17B10 (0.52) MAPTRAB9ASMN1; SMN2HSD17B10MEN1
SCHEMBL9506653 0.96 RAB9A (0.45) MAPTRAB9ASMN1; SMN2HSD17B10MEN1
SCHEMBL9506512 0.91 RAB9A (0.40) MAPTRAB9ASMN1; SMN2HSD17B10MEN1
SCHEMBL9511627 0.89 RARB (0.46) MAPTRAB9ASMN1; SMN2HSD17B10MEN1

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