SCHEMBL842665

SCHEMBL842665

CCCCc1cc(-c2ccncc2)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
ALDH1A1 P00352 9/20 0.42
MAPT P10636 6/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GSK3B P49841 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
NFKB1 P19838 1/20 0.42
S1PR1 P21453 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 5/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
LMNA P02545 4/20 0.39
KDM4E B2RXH2 3/20 0.39

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
SCHEMBL29061720 0.84 CYP11B1 (0.44) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL841677 0.83 DYRK1A (0.55) CYP3A4CYP2D6ALDH1A1MAPTSMN1; SMN2
SCHEMBL18924665 0.82 LMNA (0.44) CYP3A4CYP2D6ALDH1A1MAPTSMN1; SMN2
SCHEMBL30179464 0.78 CYP11B1 (0.42) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL21391973 0.78 CYP11B1 (0.42) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL842883 0.76 CYP1A2 (0.50) CYP2D6ALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL2600215 0.73 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL18876355 0.72 ALDH1A1 (0.39) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL27861065 0.72 SMN1; SMN2 (0.64) CYP3A4CYP2D6ALDH1A1MAPTSMN1; SMN2
SCHEMBL18309102 0.71 ALDH1A1 (0.38) CYP3A4ALDH1A1MAPTGAAMEN1

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