SCHEMBL20923958

SCHEMBL20923958

Cc1ccc(-c2ccc3c(c2)CCN(C)C3=O)s1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 15/20 0.59
GRM5 P41594 1/20 0.47
OPRD1 P41143 1/20 0.46
DRD2 P14416 2/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
DRD3 P35462 1/20 0.44
HTR6 P50406 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL19879996 0.89 PRF1 (0.59) PRF1DRD2HTR2AHTR2CDRD3
SCHEMBL20924158 0.86 PRF1 (0.57) PRF1
SCHEMBL15571390 0.85 PRF1 (0.58) PRF1GRM5OPRD1MEN1KMT2A
SCHEMBL2043120 0.84 PRF1 (0.66) PRF1GRM5OPRD1MEN1KMT2A
SCHEMBL15570786 0.81 PRF1 (0.58) PRF1
SCHEMBL14761067 0.80 PRF1 (0.53) PRF1GRM5OPRD1MEN1KMT2A
SCHEMBL16561641 0.79 OPRD1 (0.56) PRF1GRM5OPRD1MEN1KMT2A
SCHEMBL15570926 0.78 DRD2 (0.52) PRF1GRM5OPRD1DRD2DRD3
SCHEMBL16970857 0.78 PRF1 (0.62) PRF1
SCHEMBL20924249 0.78 PRF1 (0.57) PRF1

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-2888251-B1 PERFORIN INHIBITING BENZENESULFONAMIDE COMPOUNDS, PREPARATION AND USES THEREOF PETER MACCALLUM CANCER INST (AU) 2019-04-24 EP disclosed