SCHEMBL8539181

SCHEMBL8539181

COC(=O)CCc1c[nH]c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc12

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 0.56
MAPT P10636 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
SPR P35270 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MPO P05164 1/20 0.48

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
SCHEMBL8539413 0.90 HTR6 (0.56) HTR6MEN1KMT2ASPRKDM4E
SCHEMBL351449 0.82 MPO (0.69) KMT2ASPRMPO
SCHEMBL9220920 0.80 HTR6 (0.56) HTR6MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8539179 0.78 POLB (0.47) MAPTMEN1KMT2AKDM4E
SCHEMBL8544819 0.78 HTR6 (0.59) HTR6MAPTMEN1KMT2A
SCHEMBL5792142 0.76 MPO (0.73) SPRMPO
SCHEMBL8544758 0.75 ALDH1A1 (0.48) MAPTMEN1KMT2AKDM4E
Benzene SCHEMBL27406056 0.75 MTNR1A (0.68) MAPTMEN1KMT2ASMN1; SMN2SPR
SCHEMBL8538927 0.74 MEN1 (0.49) HTR6MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL852680 0.74 NPSR1 (0.64) HTR6MAPTMEN1KMT2ASPR

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-0715627-B1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS PFIZER LTD (GB) 1998-09-09 EP claimed