SCHEMBL841677

SCHEMBL841677

CCCCc1cc(-c2cccnc2)cs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.55
DYRK1B Q9Y463 5/20 0.55
CYP3A4 P08684 4/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 2/20 0.49
CYP19A1 P11511 2/20 0.49
CYP2D6 P10635 1/20 0.49
DYRK2 Q92630 1/20 0.48
PPARA Q07869 1/20 0.46
CYP2A6 P11509 4/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP2B6 P20813 2/20 0.41
CYP2E1 P05181 1/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL12531203 0.84 DYRK1A (0.62) DYRK1ADYRK1BCYP3A4CYP2C9CYP2C19
SCHEMBL842665 0.83 CYP3A4 (0.46) CYP3A4CYP2D6ALDH1A1TDP1NPC1
SCHEMBL29061720 0.81 CYP11B1 (0.44) ALDH1A1TDP1NPC1MAPTHTT
SCHEMBL21391973 0.75 CYP11B1 (0.42) ALDH1A1NPC1MAPTHTTRAB9A
SCHEMBL30179464 0.75 CYP11B1 (0.42) ALDH1A1NPC1MAPTHTTRAB9A
SCHEMBL17503877 0.74 KLKB1 (0.54) DYRK1ADYRK1BCYP3A4CYP2C9CYP2C19
SCHEMBL842883 0.73 CYP1A2 (0.50) CYP2C9CYP2C19CYP19A1CYP2D6ALDH1A1
SCHEMBL2821094 0.73 CYP2D6 (0.49) CYP3A4CYP2C9CYP2C19CYP19A1CYP2D6
SCHEMBL12435674 0.73 CYP3A4 (0.64) CYP3A4CYP2C9CYP2C19CYP19A1CYP2D6
SCHEMBL14817175 0.73 DYRK1A (0.68) DYRK1ADYRK1BCYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143456-B2 Method of reducing methanol in recycle streams in bisphenol-A production process DOW GLOBAL TECHNOLOGIES LLC (US) 2012-03-27 US disclosed
US-20110137087-A1 METHOD OF REDUCING METHANOL IN RECYCLE STREAMS IN BISPHENOL-A PRODUCTION PROCESS BLUE CUBE IP LLC 2011-06-09 US disclosed
EP-2158040-B1 PREPARATION OF CATALYST FOR BISPHENOLS PRODUCTION DOW GLOBAL TECHNOLOGIES INC (US) 2011-02-16 EP disclosed
EP-2197824-A2 METHOD OF REDUCING METHANOL IN RECYCLE STREAMS IN BISPHENOL-A-PRODUCTION PROCESS Dow Global Technologies Inc. (US) 2010-06-23 EP disclosed
EP-2158040-A1 PREPARATION OF CATALYST FOR BISPHENOLS PRODUCTION Dow Global Technologies Inc. (US) 2010-03-03 EP disclosed
WO-2009032552-A2 METHOD OF REDUCING METHANOL IN RECYCLE STREAMS IN BISPHENOL-A-PRODUCTION PROCESS DOW GLOBAL TECHNOLOGIES INC. (US) 2009-03-12 WO disclosed
WO-2008157025-A1 PREPARATION OF CATALYST FOR BISPHENOLS PRODUCTION DOW GLOBAL TECHNOLOGIES INC. (US) 2008-12-24 WO disclosed