SCHEMBL2333574

SCHEMBL2333574

COc1cc(F)c(CNC(=O)c2ccc3nc(C(C)(C)C)ccc3c2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 2/20 0.43
EPHX2 P34913 3/20 0.42
NR1H4 Q96RI1 3/20 0.42
ROCK2 O75116 7/20 0.42
ROCK1 Q13464 6/20 0.42
PPARG P37231 2/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
PAX8 Q06710 1/20 0.41

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
SCHEMBL1754354 0.89 MAPT (0.43) MAPTSMN1; SMN2LMNATP53EPHX2
SCHEMBL1754182 0.87 EPHX2 (0.47) SMN1; SMN2LMNATP53EPHX2NR1H4
SCHEMBL2333581 0.81 HPGD (0.43) TP53ROCK2ROCK1
SCHEMBL1754176 0.79 TRPV1 (0.45) MAPTSMN1; SMN2LMNATP53EPHX2
SCHEMBL1753966 0.79 TRPV1 (0.45) MAPTSMN1; SMN2LMNATP53EPHX2
SCHEMBL2108295 0.77 LMNA (0.44) MAPTLMNATP53EPHX2NR1H4
SCHEMBL14378424 0.73 NR1H4 (0.47) MAPTSMN1; SMN2LMNATP53EPHX2
SCHEMBL1753973 0.72 TAS1R3 (0.46) LMNAROCK2ROCK1
SCHEMBL3292156 0.72 TAS1R3 (0.46) LMNAROCK2ROCK1
SCHEMBL1753950 0.72 TAS1R3 (0.46) LMNAROCK2ROCK1

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
EP-2222631-B1 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER (US) 2011-08-17 EP claimed