SCHEMBL19983898

SCHEMBL19983898

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
PTK6 Q13882 3/20 0.37
ERBB2 P04626 1/20 0.35
EGFR P00533 2/20 0.34
IMPDH2 P12268 1/20 0.34
GAK O14976 2/20 0.34
GPR84 Q9NQS5 4/20 0.33
HTR2A P28223 1/20 0.33
APP P05067 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL19984147 0.88 CYP2D6 (0.36) CHRNB2CHRNA7CHRNA4PTK6EGFR
SCHEMBL19983728 0.85 CHRNB2 (0.39) CHRNB2CHRNA7CHRNA4PTK6GPR84
SCHEMBL19984195 0.85 LRRK2 (0.41) CHRNB2CHRNA7CHRNA4IMPDH2HTR2A
SCHEMBL19983880 0.79 MEN1 (0.36) CHRNB2CHRNA7CHRNA4GPR84HTR2A
SCHEMBL19983903 0.78 CYP2D6 (0.39) CHRNB2CHRNA7CHRNA4GPR84APP
SCHEMBL19983877 0.78 GPR84 (0.36) CHRNB2CHRNA7CHRNA4GPR84HTR2A
SCHEMBL19984013 0.75 HTR2A (0.35) CHRNB2CHRNA7CHRNA4HTR2AMEN1
SCHEMBL19983831 0.75 HTR2A (0.49) GPR84HTR2AMEN1KMT2AKDM4E
SCHEMBL19983892 0.75 PTGS2 (0.46) CHRNB2CHRNA7CHRNA4GPR84HTR2A
SCHEMBL19983890 0.74 EGFR (0.43) CHRNB2CHRNA7CHRNA4ERBB2EGFR

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