SCHEMBL19984159

SCHEMBL19984159

CNCc1c[nH]c2cc(Nc3cc(-c4ccccc4)ccc3C)ccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HTR1A P08908 1/20 0.35
HTR2A P28223 1/20 0.35
HTT P42858 1/20 0.35
IMPDH2 P12268 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
MAPK8 P45983 2/20 0.35
MAPK10 P53779 2/20 0.35
MAPK14 Q16539 2/20 0.35
CFTR P13569 1/20 0.35
HTR6 P50406 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 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
SCHEMBL19983944 0.79 GPR84 (0.40) KDM4EALDH1A1HTR1AHTR2AHTT
SCHEMBL19983751 0.78 GPR84 (0.40) KDM4EALDH1A1HTR1AHTR2AHTT
SCHEMBL19984001 0.78 MAPK8 (0.48) KDM4EALDH1A1HTR1AHTR2AHTT
SCHEMBL19984005 0.78 HTR2A (0.44) KDM4EALDH1A1HTR2ACHRNB2CHRNA7
SCHEMBL19983738 0.77 GPR84 (0.39) KDM4EALDH1A1HTR1AHTR2AHTT
SCHEMBL19983869 0.77 MMP2 (0.46) KDM4EALDH1A1HTR1AHTR2AHTR6
SCHEMBL19983849 0.76 GPR84 (0.40) HTR1AHTR2ACHRNB2CHRNA7CHRNA4
SCHEMBL19983867 0.76 HTR2C (0.42) KDM4EALDH1A1HTR1AHTR2ACHRNB2
SCHEMBL19984197 0.76 GPR84 (0.49) HTR2ACHRNB2CHRNA7CHRNA4PTGS2
SCHEMBL19983891 0.76 GPR84 (0.49) HTR1AHTR2ACHRNB2CHRNA7CHRNA4

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