SCHEMBL8342033

SCHEMBL8342033

Cc1ccc2c([SiH3])c[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.51
NR4A2 P43354 2/20 0.49
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
IDO1 P14902 1/20 0.43
KIF11 P52732 2/20 0.42
PCSK9 Q8NBP7 1/20 0.42
RXFP1 Q9HBX9 1/20 0.40
HTR1D P28221 1/20 0.40
PIM3 Q86V86 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
NR3C1 P04150 1/20 0.37
ATP4A P20648 1/20 0.37
ATP4B P51164 1/20 0.37
ITK Q08881 1/20 0.37

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
SCHEMBL8288899 0.79 HTR2A (0.51) HTR2ANR4A2MEN1KMT2AIDO1
SCHEMBL29555842 0.78 ATM (0.56) HTR2ANR4A2MEN1KMT2AIDO1
SCHEMBL12352 0.78 ATM (0.56) HTR2ANR4A2MEN1KMT2AIDO1
SCHEMBL14454516 0.75 HTR2A (0.56) HTR2ANR4A2MEN1KMT2AIDO1
SCHEMBL21623869 0.75 HTR2A (0.56) HTR2ANR4A2MEN1KMT2AIDO1
SCHEMBL8269303 0.75 HTR2A (0.51) HTR2ANR4A2MEN1KMT2AIDO1
SCHEMBL8269432 0.75 HTR2A (0.51) HTR2ANR4A2MEN1KMT2AIDO1
SCHEMBL8268448 0.75 HTR2A (0.56) HTR2ANR4A2MEN1KMT2AIDO1
SCHEMBL20355143 0.75 HTR2A (0.51) HTR2ANR4A2MEN1KMT2AIDO1
SCHEMBL26181019 0.75 HTR2A (0.51) HTR2ANR4A2MEN1KMT2AIDO1

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
WO-2004083174-A2 SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO disclosed