SCHEMBL2187272

SCHEMBL2187272

CCCCSc1nc2ccccc2s1.CCSc1nc2cc(Cl)ccc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
CYP2D6 P10635 2/20 0.56
TMEM97 Q5BJF2 2/20 0.56
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
STAT6 P42226 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.54
GFER P55789 1/20 0.54
ALOX5 P09917 3/20 0.53
NPSR1 Q6W5P4 1/20 0.52
HTR1A P08908 1/20 0.51
HTR2A P28223 1/20 0.51
HTR7 P34969 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MEN1 O00255 1/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL422527 0.86 CYP1A2 (0.75) CYP1A2CYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL30422981 0.86 CYP1A2 (0.75) CYP1A2CYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL9622398 0.84 SMN1; SMN2 (0.71) CYP1A2CYP2D6TMEM97CYP3A4CYP2C9
SCHEMBL30423143 0.84 SMN1; SMN2 (0.71) CYP1A2CYP2D6TMEM97CYP3A4CYP2C9
SCHEMBL2208304 0.81 CYP1A2 (0.71) CYP1A2CYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL11299646 0.81 CYP1A2 (0.71) CYP1A2CYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL15501213 0.81 CYP1A2 (0.71) CYP1A2CYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL19614388 0.81 CYP1A2 (0.71) CYP1A2CYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL11339285 0.81 CYP1A2 (0.71) CYP1A2CYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL30423175 0.81 CYP1A2 (0.71) CYP1A2CYP2D6CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346956-A1 ACTIVATORS FOR TWO PART CYANOACRYLATE ADHESIVES Loctite (R & D) Limited (IE) 2011-07-27 EP claimed
WO-2010046412-A1 ACTIVATORS FOR TWO PART CYANOACRYLATE ADHESIVES LOCTITE (R & D) LIMITED (IE) 2010-04-29 WO claimed
EP-2346956-A1 ACTIVATORS FOR TWO PART CYANOACRYLATE ADHESIVES Loctite (R & D) Limited (IE) 2011-07-27 EP disclosed