SCHEMBL13460880

SCHEMBL13460880

COc1ccc(-c2cccc(C=O)c2F)cc1CNC(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.42
ROCK1 Q13464 6/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
THRB P10828 1/20 0.42
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PPARA Q07869 2/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
HPGD P15428 3/20 0.39
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
PPARD Q03181 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL13460932 0.93 LMNA (0.44) ROCK2ROCK1LMNAMAPTTHRB
SCHEMBL13460776 0.90 PPARD (0.47) MAPTTHRBRECQLPPARAPPARD
SCHEMBL13460937 0.89 TAS1R3 (0.41) ROCK2ROCK1LMNAMAPTTHRB
SCHEMBL13460744 0.88 PPARD (0.44) ROCK2ROCK1PPARATAS1R3TAS1R1
SCHEMBL3416709 0.87 MRGPRX4 (0.48) ROCK2ROCK1LMNAMAPTTHRB
SCHEMBL13460875 0.86 ROCK2 (0.45) ROCK2ROCK1LMNATHRBTSHR
SCHEMBL13461048 0.85 RECQL (0.42) ROCK2ROCK1LMNAMAPTTHRB
SCHEMBL13461041 0.85 LMNA (0.46) ROCK2ROCK1LMNATHRBTSHR
SCHEMBL13460741 0.84 LMNA (0.45) ROCK2ROCK1LMNATHRBTSHR
SCHEMBL13460746 0.84 LMNA (0.43) ROCK2ROCK1LMNAMAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 US disclosed