SCHEMBL29396458

SCHEMBL29396458

NCc1csc(C(=O)c2c[nH]c3cc(F)ccc23)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
NR1I2 O75469 1/20 0.43
AHR P35869 1/20 0.43
KDR P35968 2/20 0.41
HTR2A P28223 1/20 0.40
TDO2 P48775 7/20 0.38
GPR84 Q9NQS5 1/20 0.38
PCSK9 Q8NBP7 1/20 0.38
IDO1 P14902 1/20 0.37
MPO P05164 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL22559142 1.00 MEN1 (0.44) MEN1MAPTKMT2ANR1I2AHR
SCHEMBL24706506 0.87 MEN1 (0.43) MEN1MAPTKMT2ANR1I2AHR
SCHEMBL22585083 0.87 KMT2A (0.45) MEN1MAPTKMT2ANR1I2AHR
SCHEMBL22585084 0.85 MEN1 (0.43) MEN1MAPTKMT2ANR1I2AHR
SCHEMBL22559331 0.83 MEN1 (0.62) MEN1MAPTKMT2ANR1I2AHR
SCHEMBL29399389 0.83 MEN1 (0.62) MEN1MAPTKMT2ANR1I2AHR
SCHEMBL29398485 0.81 MEN1 (0.46) MEN1MAPTKMT2ANR1I2AHR
SCHEMBL22558952 0.81 MEN1 (0.46) MEN1MAPTKMT2ANR1I2AHR
SCHEMBL17537646 0.81 ATP4A (0.46) MEN1MAPTKMT2ANR1I2AHR
SCHEMBL22558894 0.80 MAPT (0.53) MEN1MAPTKMT2ANR1I2AHR

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