SCHEMBL14557200

SCHEMBL14557200

Cc1ccc(CN2C(=O)c3cccc4cc(N=O)cc(c34)C2=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CLTC Q00610 11/20 0.64
▸ NPSR1 Q6W5P4 1/20 0.57
▸ KDM4E B2RXH2 2/20 0.56
▸ CA12 O43570 2/20 0.52
▸ CA1 P00915 2/20 0.52
▸ CA2 P00918 2/20 0.52
▸ CA9 Q16790 2/20 0.52
▸ CYP1B1 Q16678 1/20 0.49
▸ UBE2N P61088 2/20 0.47
▸ ATM Q13315 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47

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
SCHEMBL14636868 0.79 CLTC (0.78) CLTCNPSR1KDM4ECA12CA1
SCHEMBL9720994 0.78 UBE2N (0.74) CLTCNPSR1KDM4ECA12CA1
SCHEMBL8737445 0.75 CASP3 (0.65) NPSR1CA12CA1CA2CA9
SCHEMBL29820192 0.75 CASP3 (0.65) NPSR1CA12CA1CA2CA9
SCHEMBL13362952 0.74 CASP3 (0.59) NPSR1KDM4ECA12CA1CA2
SCHEMBL5594225 0.74 NPSR1 (1.00) CLTCNPSR1KDM4ECA12CA1
SCHEMBL12431376 0.73 CA12 (0.60) CLTCNPSR1KDM4ECA12CA1
SCHEMBL19529498 0.73 MAPT (0.70) NPSR1KDM4ELMNAHPGDALDH1A1
SCHEMBL28737144 0.73 UBE2N (0.81) CLTCNPSR1KDM4ECA12CA1
SCHEMBL28277900 0.73 NPSR1 (0.73) CLTCNPSR1KDM4ECA12CA1

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-2007030940-A2 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PAINCEPTOR PHARMA CORPORATION (CA) 2007-03-22 — — WO disclosed
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