SCHEMBL27997696

SCHEMBL27997696

Cc1cc(NC(=O)c2cc(CC(C)O)n(-c3ccc(Cl)cc3C(F)(F)F)c2C)ccc1S(C)(=O)=O

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 6/20 0.81
ALDH1A1 P00352 2/20 0.38
TMPRSS4 Q9NRS4 4/20 0.38
AVPR2 P30518 1/20 0.37
GPR27 Q9NS67 1/20 0.37
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPK1 P28482 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
RORC P51449 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
SCHEMBL2359248 1.00 NR3C2 (0.81) NR3C2ALDH1A1TMPRSS4AVPR2GPR27
SCHEMBL2551383 0.93 NR3C2 (0.74) NR3C2TMPRSS4MAPTNPSR1L3MBTL1
SCHEMBL2357294 0.91 NR3C2 (0.67) NR3C2ALDH1A1MAPT
SCHEMBL2356581 0.89 NR3C2 (1.00) NR3C2TMPRSS4AVPR2GPR27MAPT
SCHEMBL2360115 0.88 NR3C2 (0.63) NR3C2ALDH1A1AVPR2GPR27RORC
SCHEMBL2551428 0.88 NR3C2 (0.74) NR3C2ALDH1A1TMPRSS4MAPTTP53
SCHEMBL16457022 0.87 NR3C2 (0.62) NR3C2TMPRSS4GPR27MAPTTP53
SCHEMBL2550462 0.86 NR3C2 (0.69) NR3C2MAPTTP53SMN1; SMN2NPSR1
SCHEMBL2548279 0.85 NR3C2 (0.67) NR3C2
SCHEMBL2358996 0.84 NR3C2 (0.62) NR3C2ALDH1A1AVPR2MAPTSMN1; SMN2

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
CN-102177137-B 1-phenylpyrrole compounds EXELIXIS INC 2015-03-18 CN disclosed