SCHEMBL19984147

SCHEMBL19984147

CNCc1c[nH]c2cc(Nc3ccnc(OC)c3Cl)ccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.36
CYP1A2 P05177 7/20 0.36
CYP2C8 P10632 6/20 0.36
CYP2C19 P33261 6/20 0.36
KCNH2 Q12809 5/20 0.36
CYP2C9 P11712 4/20 0.36
CYP3A4 P08684 3/20 0.36
RAD52 P43351 1/20 0.35
HIF1A Q16665 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
EGFR P00533 1/20 0.34
IMPDH2 P12268 1/20 0.34
ABCB11 O95342 1/20 0.34
APP P05067 1/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA2C P18825 1/20 0.34

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
SCHEMBL19983898 0.88 CHRNB2 (0.38) CYP2C19CYP3A4GPR84EGFRIMPDH2
SCHEMBL19983903 0.87 CYP2D6 (0.39) CYP2D6CYP1A2CYP2C8CYP2C19KCNH2
SCHEMBL19984195 0.85 LRRK2 (0.41) CYP2C19CYP2C9CYP3A4IMPDH2PTGS2
SCHEMBL19983877 0.82 GPR84 (0.36) GPR84PTGS2CHRNB2CHRNA7CHRNA4
SCHEMBL19983728 0.81 CHRNB2 (0.39) CYP2D6CYP1A2CYP2C8CYP2C19KCNH2
SCHEMBL19983880 0.79 MEN1 (0.36) GPR84PTGS2CHRNB2CHRNA7CHRNA4
SCHEMBL19984234 0.78 BCL6 (0.38) CYP2D6CYP1A2CYP2C8CYP2C19KCNH2
SCHEMBL16626544 0.78 GPR84 (0.36) CYP2C9GPR84CHRNB2CHRNA7CHRNA4
SCHEMBL19983861 0.76 GPR84 (0.41) CYP2D6CYP1A2CYP2C8CYP2C19KCNH2
SCHEMBL19984001 0.75 MAPK8 (0.48) GPR84HTR1ASLC6A2PTGS2SLC6A3

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