SCHEMBL13085142

SCHEMBL13085142

Brc1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2cccc4c(-c5ccc(-c6ccc7c8c(cccc68)-c6c-7c(-c7ccc(Br)cc7)c7ccccc7c6-c6ccccc6)cc5)ccc-3c24)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.44
ALDH1A1 P00352 2/20 0.44
ENPP1 P22413 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PARP1 P09874 1/20 0.35
CDK2 P24941 2/20 0.35
PLK4 O00444 1/20 0.35
AURKA O14965 1/20 0.35
JAK2 O60674 1/20 0.35
LCK P06239 1/20 0.35
CDK1 P06493 1/20 0.35
CSF1R P07333 1/20 0.35
LYN P07948 1/20 0.35
FGFR1 P11362 1/20 0.35
SRC P12931 1/20 0.35
PRKACA P17612 1/20 0.35
RPS6KB1 P23443 1/20 0.35

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
SCHEMBL3223984 1.00 MAPK1 (0.44) MAPK1ALDH1A1ENPP1KDM4EMAPT
SCHEMBL13085294 0.95 MAPK1 (0.45) MAPK1ALDH1A1ENPP1KDM4EMAPT
SCHEMBL14478592 0.92 MAPK1 (0.41) MAPK1ALDH1A1ENPP1KDM4EMAPT
SCHEMBL4076119 0.90 ENPP1 (0.42) MAPK1ALDH1A1ENPP1L3MBTL1PARP1
SCHEMBL13085390 0.89 CYP1A2 (0.46) MAPK1ALDH1A1KDM4EMAPTCYP1A2
SCHEMBL14139248 0.86 ALDH1A1 (0.36) MAPK1ALDH1A1MAPTL3MBTL1GRM2
SCHEMBL4071420 0.86 MAOB (0.38) MAPK1ALDH1A1KDM4EMAPTTDP1
SCHEMBL3220300 0.86 CYP2A6 (0.39) MAPK1ALDH1A1ENPP1KDM4EMAPT
SCHEMBL4081786 0.85 CA12 (0.44) MAPK1ALDH1A1ENPP1KDM4EMAPT
SCHEMBL13085133 0.85 ALDH1A1 (0.45) MAPK1ALDH1A1ENPP1KDM4EMAPT

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-20100264814-A1 POLYMER COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2010-10-21 US disclosed
US-20100264814-A1 POLYMER COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2010-10-21 US disclosed