SCHEMBL2845323

SCHEMBL2845323

Nc1cccc(-c2ccccc2F)c1-c1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.50
ADORA2A P29274 3/20 0.45
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
PDK2 Q15119 2/20 0.41
FGR P09769 1/20 0.40
PIM1 P11309 1/20 0.40
MAOA P21397 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CSNK1D P48730 1/20 0.40
DYRK1A Q13627 1/20 0.40
HIPK2 Q9H2X6 1/20 0.40
CSNK1G1 Q9HCP0 1/20 0.40
MPL P40238 1/20 0.40
HSPA1A P0DMV8 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
SCHEMBL2940281 0.82 ALOX15 (0.46) PTPRCADORA2AALDH1A1L3MBTL1KDM4E
SCHEMBL397863 0.81 ALDH1A1 (0.68) ADORA2AALDH1A1L3MBTL1KDM4ENPC1
SCHEMBL3644248 0.80 ALDH1A1 (0.46) PTPRCADORA2AALDH1A1L3MBTL1KDM4E
SCHEMBL15365758 0.80 ALDH1A1 (0.46) PTPRCADORA2AALDH1A1L3MBTL1KDM4E
SCHEMBL3794996 0.80 ALDH1A1 (0.52) PTPRCADORA2AALDH1A1L3MBTL1KDM4E
SCHEMBL1578324 0.79 PTPRC (0.67) PTPRCADORA2AALDH1A1L3MBTL1MEN1
SCHEMBL28547340 0.79 PTPRC (0.67) PTPRCADORA2AALDH1A1L3MBTL1MEN1
SCHEMBL28291458 0.77 ALDH1A1 (0.52) PTPRCADORA2AALDH1A1L3MBTL1KDM4E
SCHEMBL30989200 0.77 CYP3A4 (0.52) ADORA2AALDH1A1L3MBTL1KDM4EMPL
SCHEMBL30989195 0.77 ALDH1A1 (0.42) PTPRCADORA2AALDH1A1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436111-B2 Nickel catalyst system for the preparation of high CIS polybutadiene BRIDGESTONE CORPORATION (JP) 2013-05-07 US disclosed
US-20100093920-A1 NICKEL CATALYST SYSTEM FOR THE PREPARATION OF HIGH CIS POLYBUTADIENE BRIDGESTONE CORPORATION (JP) 2010-04-15 US disclosed