SCHEMBL10569355

SCHEMBL10569355

Nc1c(OCC(F)(F)F)ncnc1OCC(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
THRB P10828 1/20 0.45
G6PD P11413 1/20 0.45
ALOX15 P16050 1/20 0.45
CASP1 P29466 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAP3K7 O43318 1/20 0.41
TAB1 Q15750 1/20 0.41
ADORA2A P29274 1/20 0.38
CA2 P00918 1/20 0.38
CHKA P35790 1/20 0.38
SCN9A Q15858 1/20 0.33

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
SCHEMBL25244784 0.87 MAPT (0.39) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL29178655 0.87 ALDH1A1 (0.39) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL16702537 0.76 ALDH1A1 (0.44) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL9741879 0.75 MAP3K7 (0.40) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL30953676 0.72 L3MBTL1 (0.50) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL21940465 0.71 ALDH1A1 (0.47) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL24208543 0.71 ALDH1A1 (0.47) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL9741538 0.71 MAP3K7 (0.37) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL29178708 0.71 ADORA2A (0.37) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL9875106 0.70 KDM4E (0.40) ALDH1A1MAPTL3MBTL1KDM4EMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4840662-A HERBICIDES CIBA-GEIGY CORPORATION (US) 1989-06-20 US disclosed
EP-0132826-B1 N-(1-NITROPHENYL)-5-AMINOPYRIMIDINE DERIVATIVES, THEIR PREPARATION AND USE CIBA-GEIGY AG (CH) 1988-09-28 EP disclosed
EP-0132826-A1 N-(1-nitrophenyl)-5-aminopyrimidine derivatives, their preparation and use CIBA-GEIGY AG (CH) 1985-02-13 EP disclosed