SCHEMBL9953221

SCHEMBL9953221

O=S(=O)(NCC(F)(F)F)c1cc(Br)cnc1Cl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.46
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
GAA P10253 2/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
IDH2 P48735 3/20 0.36
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.34
HSD17B10 Q99714 2/20 0.34
GFER P55789 1/20 0.34

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
SCHEMBL856252 0.83 PLA2G1B (0.62) PLA2G1BATG4BMEN1KMT2AGAA
SCHEMBL9954303 0.80 PLA2G1B (0.41) ALPLPLA2G1BATG4BPIK3CDPIK3CA
SCHEMBL16926889 0.78 ALPL (0.47) ALPLMEN1KMT2AGAALMNA
SCHEMBL15646656 0.77 ALDH1A1 (0.55) KMT2AGAALMNAMAPTIDH2
SCHEMBL21494353 0.75 ALPL (0.52) ALPLPLA2G1BATG4BMEN1KMT2A
SCHEMBL18633957 0.75 ALPL (0.44) ALPLPLA2G1BATG4BMEN1KMT2A
SCHEMBL15054564 0.74 PIK3CD (0.38) ALPLPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL14093070 0.72 KMT2A (0.36) PIK3CDPIK3CAPIK3CBPIK3CGMEN1
SCHEMBL789628 0.71 ALPL (0.47) ALPLPLA2G1BATG4BMEN1KMT2A
SCHEMBL16926583 0.70 CDK1 (0.60) ALPLPLA2G1BATG4BPIK3CDPIK3CA

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-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed