SCHEMBL29398485

SCHEMBL29398485

CC(C)(N)c1csc(C(=O)c2c[nH]c3cc(F)ccc23)n1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
AHR P35869 2/20 0.45
NR1I2 O75469 1/20 0.45
KDR P35968 2/20 0.39
TDO2 P48775 7/20 0.39
PCSK9 Q8NBP7 1/20 0.37
IDO1 P14902 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TUBB1 Q9H4B7 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
SCHEMBL22558952 1.00 MEN1 (0.46) MEN1MAPTKMT2AAHRNR1I2
SCHEMBL22558943 0.91 MEN1 (0.46) MEN1MAPTKMT2AAHRNR1I2
SCHEMBL29396450 0.87 MEN1 (0.43) MEN1MAPTKMT2AAHRNR1I2
SCHEMBL22585134 0.87 MEN1 (0.43) MEN1MAPTKMT2AAHRNR1I2
SCHEMBL22559042 0.87 MEN1 (0.43) MEN1MAPTKMT2AAHRNR1I2
SCHEMBL22558955 0.86 MEN1 (0.44) MEN1MAPTKMT2AAHRNR1I2
SCHEMBL29396189 0.86 MEN1 (0.43) MEN1MAPTKMT2AAHRNR1I2
SCHEMBL22559029 0.86 MEN1 (0.43) MEN1MAPTKMT2AAHRNR1I2
SCHEMBL22558925 0.84 MEN1 (0.42) MEN1MAPTKMT2AAHRNR1I2
SCHEMBL22559141 0.83 MEN1 (0.42) MEN1MAPTKMT2AAHRNR1I2

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-3956327-A1 CHIRAL INDOLE COMPOUNDS AND THEIR USE Ariagen, Inc. (US) 2022-02-23 EP disclosed