SCHEMBL1873326

SCHEMBL1873326

C=NNS(=O)(=O)c1ccccc1-c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 2/20 0.53
▸ EDNRB P24530 1/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ NAMPT P43490 2/20 0.42
▸ CKS1B P61024 3/20 0.41
▸ SKP2 Q13309 3/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ TP53 P04637 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CYP2A6 P11509 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ KCNA5 P22460 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALOX5AP P20292 1/20 0.38
▸ FEN1 P39748 1/20 0.38
▸ CASP1 P29466 1/20 0.38

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
SCHEMBL1872226 0.80 CKS1B (0.47) PTGS2NAMPTCKS1BSKP2KMT2A
SCHEMBL28404373 0.79 PTGS2 (0.54) EDNRAEDNRBPTGS2NAMPTALDH1A1
SCHEMBL11291071 0.77 PTGS2 (0.55) EDNRAEDNRBPTGS2NAMPTALDH1A1
SCHEMBL30863682 0.77 PTGS2 (0.55) EDNRAEDNRBPTGS2NAMPTALDH1A1
SCHEMBL5488230 0.75 CA2 (0.56) EDNRAEDNRBPTGS2NAMPTALDH1A1
SCHEMBL18921577 0.75 PTGS2 (0.60) EDNRAEDNRBPTGS2NAMPTCYP3A4
SCHEMBL20541087 0.70 CYP2A6 (0.70) PTGS2ALDH1A1TP53CYP2A6CYP1A2
SCHEMBL30026143 0.70 CYP2A6 (0.70) PTGS2ALDH1A1TP53CYP2A6CYP1A2
SCHEMBL8350252 0.70 EDNRA (1.00) EDNRAEDNRB
SCHEMBL15920333 0.68 CYP2A6 (0.50) PTGS2ALDH1A1TP53CYP2A6CYP1A2

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-2496577-A1 IMIDAZOPYRIDINE DERIVATIVES Piramal Life Sciences Limited (IN) 2012-09-12 — — EP disclosed
WO-2011055320-A1 IMIDAZOPYRIDINE DERIVATIVES PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-05-12 — — WO disclosed
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