SCHEMBL19983951

SCHEMBL19983951

CNCc1c[nH]c2cc(Cc3ccc(OC(F)(F)F)cc3)ccc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.41
GOT1 P17174 1/20 0.40
SLC6A4 P31645 1/20 0.40
CDK2 P24941 1/20 0.38
HTR2A P28223 2/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MPO P05164 1/20 0.37
HTR6 P50406 2/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 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
SCHEMBL19984189 0.88 BRD4 (0.38) TRPV1GOT1SLC6A4CDK2HTR2A
SCHEMBL19984218 0.87 SLC6A4 (0.39) TRPV1GOT1SLC6A4CDK2HTR2A
SCHEMBL19983959 0.86 KMT2A (0.40) TRPV1CDK2HTR2AGPR84MEN1
SCHEMBL19984035 0.80 HTR2A (0.47) HTR2ACHRNB2CHRNA7CHRNA4GPR84
SCHEMBL19983900 0.77 CDK2 (0.42) TRPV1GOT1CDK2HTR6
SCHEMBL3843653 0.76 HAT1 (0.44) TRPV1
SCHEMBL19983859 0.76 CDK2 (0.41) TRPV1GOT1SLC6A4CDK2HTR2A
SCHEMBL19984222 0.75 CDK2 (0.41) TRPV1GOT1CDK2HTR2AGPR84
SCHEMBL19984036 0.73 LMNA (0.44) SLC6A4HTR2ACHRNB2CHRNA7CHRNA4
SCHEMBL19983786 0.73 SLC6A4 (0.43) SLC6A4CDK2HTR2ACHRNB2CHRNA7

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