SCHEMBL8554328

SCHEMBL8554328

CCN(CCOC(=O)C(C)(C)C)CCOc1ccc2nc(Cc3ccc(C(F)(F)F)cc3)sc2c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CACNA1B Q00975 7/20 0.46
CACNA1H O95180 3/20 0.46
MAPT P10636 1/20 0.45
PPARG P37231 2/20 0.43
PPARD Q03181 2/20 0.43
PPARA Q07869 1/20 0.43
CNR2 P34972 2/20 0.39
CSNK1D P48730 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
BCHE P06276 1/20 0.38

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
SCHEMBL8552785 0.92 LMNA (0.49) LMNACYP1A2CYP2D6CACNA1BMAPT
SCHEMBL8361641 0.90 LMNA (0.49) LMNACYP1A2CYP2D6MAPTPPARD
SCHEMBL8551252 0.88 LMNA (0.50) LMNACYP1A2CYP2D6CACNA1BCACNA1H
SCHEMBL8551381 0.82 CACNA1B (0.45) LMNACYP1A2CYP2D6CACNA1BCACNA1H
SCHEMBL8355833 0.82 THRB (0.40) PPARGPPARDPPARABCHE
SCHEMBL8359111 0.81 CACNA1B (0.53) LMNACYP1A2CYP2D6CACNA1BCACNA1H
SCHEMBL8357762 0.80 LMNA (0.49) LMNACYP1A2CYP2D6MAPTPPARD
SCHEMBL8551665 0.79 CACNA1B (0.47) LMNACYP1A2CYP2D6CACNA1BCACNA1H
SCHEMBL8359973 0.78 LMNA (0.60) LMNACYP1A2CYP2D6CACNA1BMAPT
SCHEMBL8516569 0.78 MAPT (0.44) LMNACYP1A2CYP2D6CACNA1BCACNA1H

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-0824529-A1 BENZOTHIAZOLES AND BENZOXAZOLES, AS WELL AS DRUGS CONTAINING THEM, THEIR USE AND METHODS OF PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-02-25 EP disclosed
WO-1996035681-A1 BENZOTHIAZOLES AND BENZOXAZOLES, AS WELL AS DRUGS CONTAINING THEM, THEIR USE AND METHODS OF PREPARING THEM DR. KARL THOMAE GMBH (DE) 1996-11-14 WO disclosed