SCHEMBL19983959

SCHEMBL19983959

CNCc1c[nH]c2cc(Cc3ccc(OC(F)(F)F)cc3OC)ccc12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
TRPV1 Q8NER1 1/20 0.39
HTR2A P28223 4/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR6 P50406 1/20 0.37
CDK2 P24941 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
APLNR P35414 1/20 0.35
BRD4 O60885 1/20 0.35

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 0.87 BRD4 (0.38) KMT2AMEN1TRPV1HTR2AKDM4E
SCHEMBL19984218 0.86 SLC6A4 (0.39) TRPV1HTR2ACDK2GPR84BRD4
SCHEMBL19983951 0.86 TRPV1 (0.41) KMT2AMEN1TRPV1HTR2AKDM4E
SCHEMBL19984222 0.82 CDK2 (0.41) KMT2AMEN1TRPV1HTR2ASMN1; SMN2
SCHEMBL14017704 0.79 APLNR (0.54) KMT2AMEN1HTR2AAPLNR
SCHEMBL19984134 0.76 HTR2A (0.41) KMT2AMEN1TRPV1HTR2ASMN1; SMN2
SCHEMBL19983900 0.73 CDK2 (0.42) TRPV1HTR6CDK2
SCHEMBL19983859 0.72 CDK2 (0.41) TRPV1HTR2AHTR6CDK2GPR84
SCHEMBL19983967 0.72 GPR84 (0.47) HTR2AGPR84
SCHEMBL19983786 0.72 SLC6A4 (0.43) HTR2ACDK2GPR84

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