SCHEMBL841080

SCHEMBL841080

CCCc1sccc1-c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.43
ADORA1 P30542 3/20 0.43
KDM4E B2RXH2 7/20 0.41
LMNA P02545 3/20 0.41
CYP1A2 P05177 2/20 0.41
CCR1 P32246 2/20 0.41
CCR5 P51681 2/20 0.41
CCR8 P51685 2/20 0.41
POLB P06746 1/20 0.41
METAP1 P53582 1/20 0.41
BLM P54132 1/20 0.41
HIF1A Q16665 1/20 0.41
DOHH Q9BU89 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
CYP19A1 P11511 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 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
SCHEMBL10160832 0.87 ADORA2A (0.48) ADORA2AADORA1KDM4ELMNACYP1A2
SCHEMBL10130704 0.79 TRPM8 (0.44) ADORA2AADORA1KDM4ELMNACYP1A2
SCHEMBL27816699 0.74 BCAT2 (0.41) ADORA2AADORA1HTT
SCHEMBL14350245 0.74 KDM4E (0.48) ADORA2AADORA1KDM4ELMNACYP1A2
SCHEMBL31281737 0.74 CHEK2 (0.41) ADORA1KDM4ELMNACYP1A2CCR1
SCHEMBL14678660 0.73 KDM4E (0.46) KDM4ELMNACYP1A2CCR1CCR5
SCHEMBL6745096 0.72 KDM4E (0.50) ADORA2AADORA1KDM4ELMNACYP1A2
SCHEMBL842669 0.71 MAPK14 (0.44) KDM4ELMNACYP1A2CYP2D6CYP2C9
SCHEMBL969342 0.70 KDM4E (0.48) ADORA2AADORA1KDM4ELMNACYP1A2
SCHEMBL6752641 0.70 KDM4E (0.48) ADORA2AADORA1KDM4ELMNACYP1A2

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 4 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-2197824-A2 METHOD OF REDUCING METHANOL IN RECYCLE STREAMS IN BISPHENOL-A-PRODUCTION PROCESS Dow Global Technologies Inc. (US) 2010-06-23 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