SCHEMBL7428203

SCHEMBL7428203

CCc1cc(C(=O)NCc2ccc(OC)c(Cl)c2)c(NC(=O)c2ccc(C(=O)O)cc2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
RAB9A P51151 2/20 0.51
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
GRIN2C Q14957 1/20 0.50
LMNA P02545 2/20 0.48
NR1H4 Q96RI1 2/20 0.48
PTGER4 P35408 1/20 0.48
ROCK2 O75116 1/20 0.47
HPGD P15428 2/20 0.46
GAA P10253 2/20 0.46
HTT P42858 2/20 0.45
NPC1 O15118 1/20 0.45
KCNH2 Q12809 1/20 0.45
APEX1 P27695 1/20 0.44
EPHX2 P34913 1/20 0.43

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
SCHEMBL8207730 0.93 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL7893018 0.92 NR1H4 (0.56) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL7888438 0.90 ROCK2 (0.52) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL7422687 0.89 LMNA (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL8206929 0.84 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL7890903 0.83 NR1H4 (0.57) ALDH1A1KMT2ASMN1; SMN2LMNANR1H4
SCHEMBL8206616 0.82 GAA (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL7889265 0.82 GRIN2C (0.60) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL8245383 0.82 ROCK2 (0.52) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL7890829 0.81 GRIN2C (0.56) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A

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 6 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 claimed
US-6143777-A ENZYME INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-07 US claimed
EP-0934301-A1 AMINOTHIOPHENE CARBOXYLIC ACID AMIDES AND THE USE THEREOF AS PHOSPHODIESTERASE INHIBITORS MERCK PATENT GmbH (DE) 1999-08-11 EP claimed
WO-1998016521-A1 AMINOTHIOPHENE CARBOXYLIC ACID AMIDES AND THE USE THEREOF AS PHOSPHODIESTERASE INHIBITORS MERCK PATENT GMBH (DE) 1998-04-23 WO claimed
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