SCHEMBL460121

SCHEMBL460121

CC(C)c1cc(NCc2c(O)ccc(O)c2Br)cc(C(=O)O)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 3/20 0.42
NOX4 Q9NPH5 2/20 0.38
EGFR P00533 2/20 0.38
RGS12 O14924 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LCK P06239 1/20 0.38
MAPT P10636 1/20 0.38
CAMKK2 Q96RR4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LDHA P00338 1/20 0.36
LDHB P07195 1/20 0.36
PTGS2 P35354 1/20 0.36
HAO1 Q9UJM8 1/20 0.36
THRA P10827 6/20 0.35
THRB P10828 6/20 0.35
PPARA Q07869 1/20 0.35
STING1 Q86WV6 1/20 0.35
BCL2L1 Q07817 1/20 0.33
MCL1 Q07820 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
SCHEMBL460120 0.72 HSP90AA1 (0.45) KDM4CNOX4EGFRALDH1A1MAPT
SCHEMBL9204465 0.68 F2R (0.52) ALDH1A1MAPT
SCHEMBL9198091 0.67 HTT (0.66) MAPTTDP1
SCHEMBL9200578 0.65 HPGD (0.49) MAPTTDP1
SCHEMBL9201424 0.65 LMNA (0.49) ALDH1A1MAPTMCL1
SCHEMBL462566 0.65 EGFR (0.47) KDM4CNOX4EGFRRGS12ALDH1A1
SCHEMBL9196782 0.64 MAPT (0.38) KDM4CALDH1A1MAPTTDP1MCL1
SCHEMBL9203707 0.64 DHODH (0.56) ALDH1A1TDP1
SCHEMBL11242577 0.64 FFAR1 (0.50) KDM4CALDH1A1MAPTPPARASTING1
SCHEMBL9199236 0.64 MAPT (0.39) ALDH1A1MAPTTDP1THRATHRB

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-20120021519-A1 EFFICIENT INDUCTION OF PLURIPOTENT STEM CELLS USING SMALL MOLECULE COMPOUNDS PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2012-01-26 US disclosed
WO-2010033906-A2 EFFICIENT INDUCTION OF PLURIPOTENT STEM CELLS USING SMALL MOLECULE COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-03-25 WO disclosed