SCHEMBL8923752

SCHEMBL8923752

CC(=O)Nc1ccc(OP(=O)(CN[C@@H](Cc2ccc(-c3ccccc3)cc2)c2nnn[nH]2)Oc2ccc(NC(C)=O)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.43
ECE1 P42892 3/20 0.43
AGTR2 P50052 1/20 0.43
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
F2 P00734 3/20 0.39
PLG P00747 3/20 0.39
PLAU P00749 3/20 0.39
PLAT P00750 3/20 0.39
F10 P00742 2/20 0.39
OGT O15294 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
HSD17B10 Q99714 1/20 0.37
AKR1C3 P42330 1/20 0.36

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
SCHEMBL8921666 0.92 MME (0.44) MMEECE1AGTR2MEN1KMT2A
SCHEMBL8921569 0.88 MME (0.48) MMEECE1AGTR2
SCHEMBL8921559 0.88 MME (0.48) MMEECE1AGTR2
SCHEMBL8920316 0.83 ECE1 (0.44) MMEECE1AGTR2
SCHEMBL8922375 0.82 MME (0.42) MMEECE1AGTR2KMT2APLAU
SCHEMBL8922366 0.82 MME (0.42) MMEECE1AGTR2KMT2APLAU
SCHEMBL8932548 0.82 ECE1 (0.43) MMEECE1AGTR2L3MBTL1
SCHEMBL8921613 0.82 MME (0.43) MMEECE1AGTR2KMT2A
SCHEMBL8921594 0.82 MME (0.43) MMEECE1AGTR2KMT2A
SCHEMBL8932547 0.82 ECE1 (0.43) MMEECE1AGTR2L3MBTL1

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-0660840-B1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES CIBA GEIGY AG (CH) 1997-05-07 EP disclosed
WO-1996026729-A1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES AS ECE INHIBITORS CIBA-GEIGY AG (CH) 1996-09-06 WO disclosed
US-5550119-A ENDOTHELIN-CONVERTING ENZYM INHIBITORS CIBA-GEIGY CORPORATION (US) 1996-08-27 US disclosed
EP-0660840-A1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES. CIBA GEIGY AG (CH) 1995-07-05 EP disclosed
WO-1994005677-A1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES CIBA-GEIGY AG (CH) 1994-03-17 WO disclosed
US-5273990-A 5-Phosphonomethyleneamino aryl-substitued alkylene-1H-tetazoles CIBA-GEIGY CORPORATION (US) 1993-12-28 US disclosed