SCHEMBL9566907

SCHEMBL9566907

CCc1ccc2c(C)c(Cc3ccccc3[N+](=O)[O-])c(=O)[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.41
▸ KIF11 P52732 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MAPT P10636 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ PTGES O14684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ GRIN2D O15399 1/20 0.36
▸ GRIN3B O60391 1/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2A Q12879 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ GRIN2C Q14957 1/20 0.36
▸ GRIN3A Q8TCU5 1/20 0.36
▸ DAO P14920 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL9311173 0.82 PARP1 (0.45) KIF11RAB9AMAPTKMT2AMEN1
SCHEMBL9566880 0.80 MAP2K1 (0.44) KIF11RAB9AMAPTKMT2AMEN1
SCHEMBL9566894 0.80 KIF11 (0.43) ARKIF11RAB9AMAPTPTGES
SCHEMBL9566941 0.79 KIF11 (0.42) KIF11RAB9AKMT2AMEN1POLB
SCHEMBL9566925 0.77 PDE3B (0.45) KIF11RAB9AMAPTCYP2C9ALDH1A1
SCHEMBL27532886 0.77 KIF11 (0.50) KIF11RAB9AMAPTPTGESCYP2C9
SCHEMBL27410225 0.73 DAO (0.49) KIF11RAB9AMAPTPTGESCYP2C9
SCHEMBL27388577 0.73 PTGS2 (0.53) KIF11RAB9AMAPTKMT2AMEN1
SCHEMBL27413780 0.71 KIF11 (0.46) ARKIF11RAB9AMAPTPOLB
SCHEMBL27409224 0.71 KIF11 (0.44) KIF11RAB9AMAPTKMT2AMEN1

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-0561252-A1 2-Oxoquinoline derivatives as angiotensin II antagonists MERCK PATENT GmbH (DE) 1993-09-22 — — EP disclosed
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