SCHEMBL7277208

SCHEMBL7277208

CC1=C(C(=O)O)C(c2ccc(-c3cccnc3)cc2)C(C(=O)O)=C(C)N1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 5/20 0.54
MKNK2 Q9HBH9 5/20 0.54
CACNA1B Q00975 2/20 0.51
DHODH Q02127 3/20 0.47
KMO O15229 1/20 0.44
PIM1 P11309 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
PAX8 Q06710 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
IP6K1 Q92551 1/20 0.42
IP6K3 Q96PC2 1/20 0.42
IP6K2 Q9UHH9 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL7267531 0.87 KMO (0.52) MKNK1MKNK2CACNA1BDHODHKMO
SCHEMBL9434755 0.85 CACNA1B (0.45) MKNK1MKNK2CACNA1BKMOMAPT
SCHEMBL9401812 0.84 CACNA1B (0.65) CACNA1BMAPT
SCHEMBL10432705 0.84 CACNA1B (0.44) MKNK1MKNK2CACNA1BKMOLMNA
SCHEMBL9434417 0.83 MAPT (0.45) MKNK1MKNK2CACNA1BMEN1MAPT
SCHEMBL9434316 0.83 CACNA1B (0.44) MKNK1MKNK2CACNA1BKMOMAPT
SCHEMBL9433919 0.83 CACNA1B (0.44) MKNK1MKNK2CACNA1BKMOLMNA
SCHEMBL8781993 0.83 MKNK1 (0.52) MKNK1MKNK2DHODHKMOPIM1
SCHEMBL9433821 0.81 ALDH1A1 (0.46) CACNA1BLMNAKMT2A
SCHEMBL9434041 0.81 CACNA1B (0.42) MKNK1MKNK2CACNA1BKMOMEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0373645-B1 Imidazolyl and pyridyl derivatives of phenyl substituted 1,4 -dihyropyridines and process for their preparation PHARMACIA SPA (IT) 1995-04-19 EP claimed
EP-0403627-A1 IMIDAZOLYL AND PYRIDYL DERIVATIVES OF PHENYL SUBSTITUTED 1,4-DIHYDRO-PYRIDINES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1990-12-27 EP claimed
EP-0373645-A1 Imidazolyl and pyridyl derivatives of phenyl substituted 1,4 -dihyropyridines and process for their preparation PHARMACIA S.p.A. (IT) 1990-06-20 EP claimed
US-5514693-A THROMBOXANE A2 SYNTHETASE INHIBITOR, CALCIUM ANTAGONIST FARMITALIA CARLO ERBA S.R.L. (IT) 1996-05-07 US disclosed
EP-0373645-B1 Imidazolyl and pyridyl derivatives of phenyl substituted 1,4 -dihyropyridines and process for their preparation PHARMACIA SPA (IT) 1995-04-19 EP disclosed
EP-0403627-A1 IMIDAZOLYL AND PYRIDYL DERIVATIVES OF PHENYL SUBSTITUTED 1,4-DIHYDRO-PYRIDINES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1990-12-27 EP disclosed
WO-1990006923-A1 IMIDAZOLYL AND PYRIDYL DERIVATIVES OF PHENYL SUBSTITUTED 1,4-DIHYDRO-PYRIDINES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.R.L. (IT) 1990-06-28 WO disclosed
EP-0373645-A1 Imidazolyl and pyridyl derivatives of phenyl substituted 1,4 -dihyropyridines and process for their preparation PHARMACIA S.p.A. (IT) 1990-06-20 EP disclosed