SCHEMBL1130348

SCHEMBL1130348

Cc1cccc(-c2cccnc2)c1S

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 7/20 0.53
CYP3A4 P08684 4/20 0.53
CYP2E1 P05181 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2B6 P20813 2/20 0.53
CYP2C19 P33261 2/20 0.53
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 1/20 0.48
KDM4E B2RXH2 3/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPY5R Q15761 1/20 0.48
NPC1 O15118 1/20 0.48
TSHR P16473 1/20 0.48
AHR P35869 1/20 0.48
RAB9A P51151 1/20 0.48
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
PTGS2 P35354 1/20 0.44

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
SCHEMBL18378751 0.81 CYP2A6 (0.56) CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9
SCHEMBL3752648 0.81 KDM4E (0.61) CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9
SCHEMBL12339131 0.80 CYP2A6 (0.54) CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9
SCHEMBL12117598 0.80 CYP2A6 (0.54) CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9
SCHEMBL8435931 0.80 CYP2A6 (0.50) CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9
SCHEMBL1129836 0.79 MGAM (0.41) ALDH1A1CYP1A2KDM4ELMNAHTT
SCHEMBL29450617 0.79 CYP2A6 (0.53) CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9
SCHEMBL27809902 0.79 CYP2A6 (0.53) CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9
SCHEMBL13545698 0.79 CYP2A6 (0.53) CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9
SCHEMBL1130074 0.79 CYP2A6 (0.49) CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9

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-2952256-B1 METHOD FOR THE PRODUCTION OF CATALYSTS LANXESS DEUTSCHLAND GMBH (DE) 2017-05-17 EP disclosed
EP-2952256-A1 METHOD FOR THE PRODUCTION OF CATALYSTS LANXESS Deutschland GmbH (DE) 2015-12-09 EP disclosed
US-8932976-B2 Preparation of catalyst for bisphenols production DOW GLOBAL TECHNOLOGIES LLC (US) 2015-01-13 US disclosed
EP-2158040-B1 PREPARATION OF CATALYST FOR BISPHENOLS PRODUCTION DOW GLOBAL TECHNOLOGIES INC (US) 2011-02-16 EP disclosed
US-20100152028-A1 PREPARATION OF CATALYST FOR BISPHENOLS PRODUCTION DOW GLOBAL TECHNOLOGIES LLC 2010-06-17 US disclosed
CN-101678354-A The Preparation of catalysts that is used for bisphenol production DOW GLOBAL TECHNOLOGIES INC 2010-03-24 CN disclosed
EP-2158040-A1 PREPARATION OF CATALYST FOR BISPHENOLS PRODUCTION Dow Global Technologies Inc. (US) 2010-03-03 EP disclosed
WO-2008157025-A1 PREPARATION OF CATALYST FOR BISPHENOLS PRODUCTION DOW GLOBAL TECHNOLOGIES INC. (US) 2008-12-24 WO disclosed