SCHEMBL19983880

SCHEMBL19983880

CNCc1c[nH]c2cc(Nc3ccc(C)nc3OC)ccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADORA2A P29274 3/20 0.35
HTR2A P28223 2/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
ALKBH5 Q6P6C2 1/20 0.34
FTO Q9C0B1 1/20 0.34
HTR6 P50406 1/20 0.33
PAK4 O96013 2/20 0.33
PTGS2 P35354 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
ADORA1 P30542 2/20 0.32
MAPK8 P45983 1/20 0.32
MAPK10 P53779 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
SCHEMBL19983877 0.88 GPR84 (0.36) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL19983771 0.88 CHRNB2 (0.38) KDM4EALDH1A1ADORA2AHTR2ACHRNB2
SCHEMBL19983913 0.84 GPR84 (0.38) ADORA2AHTR2ACHRNB2CHRNA7CHRNA4
SCHEMBL19984013 0.83 HTR2A (0.35) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL19984195 0.83 LRRK2 (0.41) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL19984215 0.80 GAA (0.47) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL16626544 0.80 GPR84 (0.36) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL19983898 0.79 CHRNB2 (0.38) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL19984147 0.79 CYP2D6 (0.36) HTR2ACHRNB2CHRNA7CHRNA4PTGS2
SCHEMBL19984194 0.79 GPR84 (0.39) KDM4EALDH1A1HTR2ACHRNB2CHRNA7

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