SCHEMBL19983833

SCHEMBL19983833

CNCc1c[nH]c2cc(Nc3ccc(Oc4ccccc4)cc3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.44
TRPM8 Q7Z2W7 1/20 0.43
HTR2A P28223 3/20 0.40
SLC6A4 P31645 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
KCNT1 Q5JUK3 1/20 0.39
LTA4H P09960 3/20 0.39
PLA2G2A P14555 3/20 0.39
ICMT O60725 1/20 0.39
HTR1A P08908 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL19983734 0.89 GPR84 (0.46) HTR2ASLC6A4MAPTGPR84HTR1A
SCHEMBL19984180 0.89 HTR2A (0.47) SCN9AHTR2ASLC6A4GPR84CHRNB2
SCHEMBL19983831 0.86 HTR2A (0.49) HTR2AMEN1KMT2AMAPTGPR84
SCHEMBL19984000 0.82 HTR2A (0.46) HTR2AMEN1KMT2AMAPTGPR84
SCHEMBL19984119 0.81 GPR84 (0.53) HTR2AGPR84HTR1ACHRNB2CHRNA7
SCHEMBL19983869 0.81 MMP2 (0.46) HTR2AMEN1KMT2AMMP2MMP9
SCHEMBL19984088 0.79 HTR1D (0.50) HTR2AMEN1KMT2AMAPTGPR84
SCHEMBL19983845 0.78 TBXAS1 (0.44) HTR2ASLC6A4GPR84TRPV1HTR1A
SCHEMBL19984002 0.78 CHRNB2 (0.51) MEN1KMT2AGPR84CHRNB2CHRNA7
SCHEMBL19984216 0.77 GPR84 (0.48) HTR2ASLC6A4GPR84KDM4EALDH1A1

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