SCHEMBL8539413

SCHEMBL8539413

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

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.56
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
SPR P35270 1/20 0.50
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL8539181 0.90 HTR6 (0.56) HTR6MEN1KMT2ASPRKDM4E
SCHEMBL8544819 0.89 HTR6 (0.59) HTR6MEN1KMT2A
SCHEMBL351519 0.82 MTNR1A (0.64) MEN1KMT2A
SCHEMBL8539408 0.78 MAPT (0.49) MEN1KMT2AKDM4E
SCHEMBL3367245 0.77 IDO1 (0.59) MEN1KMT2AKDM4E
SCHEMBL7238856 0.76 GFER (0.66) MEN1KMT2A
Benzene SCHEMBL27406056 0.75 MTNR1A (0.68) MEN1KMT2ASPRKDM4E
SCHEMBL3961886 0.75 HTR6 (0.76) HTR6
SCHEMBL3297282 0.74 HTR6 (0.76) HTR6
SCHEMBL3957568 0.74 HTR6 (0.75) HTR6

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