SCHEMBL19983728

SCHEMBL19983728

CNCc1c[nH]c2cc(Nc3ccnc(Cl)c3Br)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
GPR84 Q9NQS5 2/20 0.39
CYP2D6 P10635 8/20 0.37
CYP1A2 P05177 7/20 0.37
CYP2C8 P10632 6/20 0.37
CYP2C19 P33261 6/20 0.37
KCNH2 Q12809 5/20 0.37
CYP2C9 P11712 4/20 0.37
CYP3A4 P08684 3/20 0.37
BCL6 P41182 6/20 0.37
RAD52 P43351 1/20 0.36
HIF1A Q16665 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ABCB11 O95342 1/20 0.35
APP P05067 1/20 0.35
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL19983903 0.89 CYP2D6 (0.39) CHRNB2CHRNA7CHRNA4GPR84CYP2D6
SCHEMBL19983898 0.85 CHRNB2 (0.38) CHRNB2CHRNA7CHRNA4GPR84CYP2C19
SCHEMBL19984193 0.81 GPR84 (0.37) CHRNB2CHRNA7CHRNA4GPR84CYP2D6
SCHEMBL19984147 0.81 CYP2D6 (0.36) CHRNB2CHRNA7CHRNA4GPR84CYP2D6
SCHEMBL19984234 0.80 BCL6 (0.38) CHRNB2CHRNA7CHRNA4GPR84CYP2D6
SCHEMBL19983894 0.79 GPR84 (0.39) CHRNB2CHRNA7CHRNA4GPR84CYP2D6
SCHEMBL19983739 0.79 CHRNB2 (0.50) CHRNB2CHRNA7CHRNA4GPR84KCNH2
SCHEMBL19983861 0.78 GPR84 (0.41) CHRNB2CHRNA7CHRNA4GPR84CYP2D6
SCHEMBL19984001 0.77 MAPK8 (0.48) CHRNB2CHRNA7CHRNA4GPR84HTR1A
SCHEMBL19983892 0.76 PTGS2 (0.46) CHRNB2CHRNA7CHRNA4GPR84HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3052484-B1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAE WOONG PHARMA (KR) 2018-03-21 EP disclosed