SCHEMBL8359679

SCHEMBL8359679

COc1ccc2nc(Cc3ccc(C(F)(F)F)cc3)sc2c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
CSNK1D P48730 5/20 0.52
APP P05067 5/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
PDK1 Q15118 1/20 0.47
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 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
SCHEMBL8358041 0.88 KMT2A (0.52) MAPTCSNK1DCYP1A2CYP3A4CYP2C19
SCHEMBL8355856 0.86 APP (0.65) MAPTCSNK1DAPPCYP1A2CYP3A4
SCHEMBL8516569 0.83 MAPT (0.44) MAPTCSNK1DCYP1A2CYP3A4GAA
SCHEMBL8361712 0.83 CSNK1D (0.58) CSNK1DAPPCYP1A2CYP3A4CYP2C19
SCHEMBL8359111 0.83 CACNA1B (0.53) MAPTCSNK1DCYP1A2
SCHEMBL11338493 0.82 CYP1A2 (0.63) MAPTAPPCYP1A2CYP3A4CYP2C19
SCHEMBL8357909 0.81 MAOB (0.50) MAPTCSNK1DAPPGAA
SCHEMBL29016598 0.81 EPHX2 (0.51) MAPTCSNK1DAPPGLAGAA
SCHEMBL30370207 0.81 EPHX2 (0.44) MAPTCSNK1DAPP
SCHEMBL29016615 0.81 EPHX2 (0.44) MAPTCSNK1DAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5919807-A ANTICHOLESTEROL AGENTS DR. KARL THOMAE GMBH (DE) 1999-07-06 US disclosed
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