SCHEMBL19984189

SCHEMBL19984189

CNCc1c[nH]c2cc(Cc3ccc(OC(F)(F)F)cc3C)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
CDK2 P24941 1/20 0.37
TRPV1 Q8NER1 4/20 0.36
SCN8A Q9UQD0 1/20 0.35
GOT1 P17174 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
HTR2A P28223 1/20 0.34
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
HTR6 P50406 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KIF11 P52732 1/20 0.34
SLC6A4 P31645 1/20 0.34
KDM4E B2RXH2 1/20 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
SCHEMBL19984218 0.88 SLC6A4 (0.39) BRD4CDK2TRPV1GOT1CHRNB2
SCHEMBL19983951 0.88 TRPV1 (0.41) CDK2TRPV1GOT1CHRNB2CHRNA7
SCHEMBL19983959 0.87 KMT2A (0.40) BRD4CDK2TRPV1HTR2AHTR6
SCHEMBL19983900 0.81 CDK2 (0.42) CDK2TRPV1GOT1HTR1AHTR7
SCHEMBL13579085 0.78 HTR2A (0.46) HTR2ASLC6A4
SCHEMBL19983801 0.77 GPR84 (0.41) CHRNB2CHRNA7CHRNA4HTR2AHTR1A
SCHEMBL19984023 0.75 HTR2A (0.47) CHRNB2CHRNA7CHRNA4HTR2AHTR1A
SCHEMBL19983859 0.74 CDK2 (0.41) CDK2TRPV1GOT1HTR2AHTR6
SCHEMBL19983786 0.73 SLC6A4 (0.43) CDK2CHRNB2CHRNA7CHRNA4HTR2A
SCHEMBL19983967 0.73 GPR84 (0.47) CHRNB2CHRNA7CHRNA4HTR2AHTR1A

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