SCHEMBL19983869

SCHEMBL19983869

CNCc1c[nH]c2cc(Nc3ccc(-c4cccc(OC)c4)cc3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
PTGDR Q13258 1/20 0.45
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
KMT2A Q03164 4/20 0.42
HTR2A P28223 3/20 0.42
HTR6 P50406 3/20 0.42
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
MEN1 O00255 3/20 0.41
GPR84 Q9NQS5 2/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL19983831 0.86 HTR2A (0.49) KMT2AHTR2AHTR6MEN1GPR84
SCHEMBL19983833 0.81 SCN9A (0.44) MMP2MMP9KMT2AHTR2AHTR1A
SCHEMBL19984215 0.78 GAA (0.47) KMT2AHTR2AHTR6MEN1GPR84
SCHEMBL19984000 0.77 HTR2A (0.46) KMT2AHTR2AHTR1AMEN1GPR84
SCHEMBL19983830 0.77 HTR2A (0.48) KMT2AHTR2AHTR6HTR1AHTR7
SCHEMBL19984159 0.77 SCN9A (0.36) KMT2AHTR2AHTR6HTR1AMEN1
SCHEMBL19984242 0.76 HTR2A (0.44) KMT2AHTR2AHTR6HTR1AHTR7
SCHEMBL19984119 0.76 GPR84 (0.53) HTR2AHTR6HTR1AGPR84
SCHEMBL19984002 0.76 CHRNB2 (0.51) KMT2AMEN1GPR84
SCHEMBL19984180 0.75 HTR2A (0.47) HTR2AGPR84

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