SCHEMBL1695159

SCHEMBL1695159

CCS(=O)(=O)n1cccc(CN)c1=O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 3/20 0.34
RAPGEF4 Q8WZA2 7/20 0.34
HTR6 P50406 2/20 0.33
BPTF Q12830 1/20 0.31
KAT2B Q92831 1/20 0.31
KMT2A Q03164 1/20 0.31
PSIP1 O75475 1/20 0.31
PNMT P11086 1/20 0.31
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP9 P14780 1/20 0.30
MMP13 P45452 1/20 0.30
LOXL2 Q9Y4K0 1/20 0.30
MGLL Q99685 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
SCHEMBL15358112 0.77 RAPGEF4 (0.44) DDR1RAPGEF4PSIP1
Hydrochloric Acid SCHEMBL16528414 0.75 RAPGEF4 (0.42) DDR1RAPGEF4PSIP1
SCHEMBL12641734 0.72 ALDH1A1 (0.38) BPTFKAT2BKMT2APNMT
Hydrochloric Acid SCHEMBL29904871 0.71 BPTF (0.37) BPTFKAT2BKMT2APNMT
SCHEMBL15803862 0.69 LOX (0.34) BPTFKAT2BKMT2AMMP2MMP9
SCHEMBL23134641 0.68 PNMT (0.35) BPTFKAT2BPNMT
SCHEMBL1106459 0.68 PTGS2 (0.42) BPTFKAT2BKMT2APNMT
SCHEMBL16541861 0.63 RAPGEF4 (0.41) DDR1RAPGEF4HTR6PSIP1
SCHEMBL23121361 0.62 NPC1 (0.45) KMT2A
SCHEMBL15799041 0.62 BRD4 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2566479-A1 AZAINDAZOLES GlaxoSmithKline LLC (US) 2013-03-13 EP disclosed
WO-2012005805-A1 AZAINDAZOLES GLAXOSMITHKLINE LLC (US) 2012-01-12 WO disclosed