SCHEMBL19983845

SCHEMBL19983845

CNCc1c[nH]c2cc(Nc3ccc(C(F)(F)F)cc3)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.44
GOT1 P17174 1/20 0.41
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
GPR84 Q9NQS5 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TRPV1 Q8NER1 2/20 0.38
CDK2 P24941 2/20 0.37
DHODH Q02127 1/20 0.37
KIF11 P52732 2/20 0.37
HTR6 P50406 2/20 0.37
EPHX2 P34913 1/20 0.36
APP P05067 1/20 0.36
HTR2A P28223 1/20 0.36

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
SCHEMBL19984088 0.88 HTR1D (0.50) HTR1AHTR1DHTR1BCHRNB2CHRNA7
SCHEMBL19983847 0.87 TBXAS1 (0.42) TBXAS1GOT1HTR1AHTR1DHTR1B
SCHEMBL19984128 0.86 TBXAS1 (0.42) TBXAS1GOT1HTR1AHTR1DHTR1B
SCHEMBL19984119 0.85 GPR84 (0.53) HTR1ACHRNB2CHRNA7CHRNA4GPR84
SCHEMBL19983945 0.85 TBXAS1 (0.41) TBXAS1HTR1AHTR1DHTR1BGPR84
SCHEMBL19984000 0.84 HTR2A (0.46) HTR1AHTR1DCHRNB2CHRNA7CHRNA4
SCHEMBL19983749 0.81 GPR84 (0.39) TBXAS1HTR1AHTR1DHTR1BCHRNB2
SCHEMBL19983831 0.81 HTR2A (0.49) GPR84HTR6HTR2A
SCHEMBL19983734 0.79 GPR84 (0.46) HTR1ACHRNB2CHRNA7CHRNA4GPR84
SCHEMBL19984216 0.79 GPR84 (0.48) HTR1AHTR1DHTR1BCHRNB2CHRNA7

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