SCHEMBL9954341

SCHEMBL9954341

COc1ccccc1-n1c(N)nc2ccc(I)cc2c1=O

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
TP53 P04637 2/20 0.48
LMNA P02545 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.47
HPD P32754 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL9954370 0.86 L3MBTL1 (0.51) L3MBTL1TP53LMNAMEN1KMT2A
SCHEMBL9953833 0.85 HCAR1 (0.58) L3MBTL1
SCHEMBL9954001 0.84 PDE4D (0.56) L3MBTL1TP53LMNAMAPTHPD
SCHEMBL9954671 0.83 HCAR1 (0.52) L3MBTL1LMNAHPD
SCHEMBL9954747 0.81 HCAR1 (0.53) TP53LMNAHPDALDH1A1
SCHEMBL9953432 0.81 HCAR1 (0.55) TP53LMNAMEN1KMT2AMAPT
SCHEMBL9954915 0.81 PI4KA (0.47) L3MBTL1TP53LMNAMAPTALDH1A1
SCHEMBL9953324 0.79 HCAR1 (0.50) MAPK1
SCHEMBL9953795 0.79 SMN1; SMN2 (0.55) TP53LMNAMEN1KMT2AMAPT
SCHEMBL9952676 0.79 HCAR1 (0.56) L3MBTL1LMNAMEN1KMT2AMAPT

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