SCHEMBL7072003

SCHEMBL7072003

CCCCCCCCCCCCCCCCCCN(C)CCCCCCCCCCCCCCCCCC.Fc1c(F)c(F)c(B(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c(B(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.N#CNC#N

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 1/20 0.34
SLC6A4 P31645 1/20 0.33
KDM5A P29375 5/20 0.33
KDM4C Q9H3R0 5/20 0.33
PHF8 Q9UPP1 2/20 0.33
DNM1 Q05193 3/20 0.32
EBP Q15125 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
KDM5C P41229 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
KDM4A O75164 1/20 0.30

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
Water SCHEMBL9299486 0.69 DNM1 (0.63) S1PR2S1PR1S1PR3S1PR5KDM5A
Water SCHEMBL29199994 0.69 DNM1 (0.63) S1PR2S1PR1S1PR3S1PR5KDM5A
SCHEMBL31255986 0.67 S1PR2 (0.42) S1PR2S1PR1S1PR3S1PR5KDM5A
Water SCHEMBL21837348 0.67 DNM1 (0.60) S1PR2S1PR1S1PR3S1PR5KDM5A
SCHEMBL24103978 0.66 DNM1 (0.67) S1PR2S1PR1S1PR3S1PR5KDM5A
SCHEMBL9493560 0.66 DNM1 (0.67) S1PR2S1PR1S1PR3S1PR5KDM5A
SCHEMBL9304444 0.66 DNM1 (0.67) S1PR2S1PR1S1PR3S1PR5KDM5A
SCHEMBL23502354 0.66 DNM1 (0.67) S1PR2S1PR1S1PR3S1PR5KDM5A
SCHEMBL20746425 0.66 DNM1 (0.67) S1PR2S1PR1S1PR3S1PR5KDM5A
SCHEMBL1276650 0.66 DNM1 (0.67) S1PR2S1PR1S1PR3S1PR5KDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1056752-B1 Catalyst activators comprising expanded anions DOW GLOBAL TECHNOLOGIES INC (US) 2003-06-25 EP disclosed
US-20020132729-A1 Catalyst activators comprising expanded anions LAPOINTE ROBERT E (US) 2002-09-19 US disclosed
US-20010027161-A1 Catalyst activators comprising expanded anions THE DOW CHEMICAL COMPANY 2001-10-04 US disclosed
EP-1056752-A1 CATALYST ACTIVATORS COMPRISING EXPANDED ANIONS THE DOW CHEMICAL COMPANY (US) 2000-12-06 EP disclosed
WO-1999042467-A1 CATALYST ACTIVATORS COMPRISING EXPANDED ANIONS THE DOW CHEMICAL COMPANY (US) 1999-08-26 WO disclosed