SCHEMBL7889377

SCHEMBL7889377

O=C(O)c1ccc(C(=O)Nc2sc(Cl)cc2C(=O)NCc2ccc(F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 7/20 0.54
PYGL P06737 1/20 0.54
PTGER2 P43116 2/20 0.53
EPHX2 P34913 2/20 0.51
PPARG P37231 1/20 0.49
KMT2A Q03164 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
NR1H4 Q96RI1 2/20 0.45
MITF O75030 1/20 0.45
CSNK2A2 P19784 1/20 0.45
CSNK2A1 P68400 1/20 0.45
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL8210425 0.90 EPHX2 (0.51) PTGER4PTGER2EPHX2PPARGKMT2A
SCHEMBL8206605 0.88 NPC1 (0.48) PTGER4PTGER2EPHX2PPARGKMT2A
SCHEMBL7888441 0.87 PTGER4 (0.53) PTGER4PYGLPTGER2EPHX2PPARG
SCHEMBL7890829 0.85 GRIN2C (0.56) PTGER4PYGLPTGER2EPHX2PPARG
SCHEMBL7890903 0.82 NR1H4 (0.57) KMT2ANR1H4LMNAL3MBTL1
SCHEMBL7888438 0.81 ROCK2 (0.52) PTGER4EPHX2KMT2ANR1H4LMNA
SCHEMBL8199987 0.81 LMNA (0.57) KMT2ALMNA
SCHEMBL8206330 0.79 MEN1 (0.50) PPARGKMT2ALMNAL3MBTL1
SCHEMBL7887105 0.79 SMN1; SMN2 (0.43) PTGER4PPARGKMT2ACYP1A2CYP2C19
SCHEMBL7888363 0.79 RAB9A (0.51) KMT2ALMNA

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
EP-0934301-B1 AMINOTHIOPHENE CARBOXYLIC ACID AMIDES AND THE USE THEREOF AS PHOSPHODIESTERASE INHIBITORS MERCK PATENT GMBH (DE) 2001-06-20 EP disclosed
US-6143777-A ENZYME INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-07 US disclosed