SCHEMBL9044915

SCHEMBL9044915

O=C(O)Oc1n[nH]c2ccccc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.53
▸ NPC1 O15118 4/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ TP53 P04637 1/20 0.53
▸ CYP1A2 P05177 1/20 0.51
▸ STAT3 P40763 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ MAP2K4 P45985 2/20 0.45
▸ CCNA2 P20248 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ FLT3 P36888 1/20 0.44
▸ CCNA1 P78396 1/20 0.44
▸ GAA P10253 3/20 0.43
▸ IDO1 P14902 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ ALPL P05186 1/20 0.43
▸ TTK P33981 1/20 0.43
▸ MAPK10 P53779 1/20 0.43
▸ CTNNB1 P35222 1/20 0.43

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
SCHEMBL1563249 0.88 KDM4E (0.50) KDM4ENPC1ALDH1A1RAB9ATP53
SCHEMBL28377216 0.82 CYP1A2 (0.50) KDM4ENPC1ALDH1A1RAB9ATP53
SCHEMBL28377726 0.79 CYP1A2 (0.47) KDM4ENPC1ALDH1A1RAB9ATP53
SCHEMBL25863815 0.78 CYP1A2 (0.61) KDM4ENPC1ALDH1A1RAB9ATP53
SCHEMBL6236381 0.77 LMNA (0.53) KDM4EALDH1A1CYP1A2MAPK1SMN1; SMN2
SCHEMBL5908296 0.75 KDM4E (0.57) KDM4ENPC1ALDH1A1RAB9ATP53
SCHEMBL5820415 0.73 KDM4E (0.53) KDM4ECYP1A2STAT3HIF1AMAP2K4
SCHEMBL14698771 0.73 KDM4E (0.49) KDM4ENPC1ALDH1A1RAB9ATP53
SCHEMBL5820414 0.72 CNR1 (0.54) KDM4ENPC1ALDH1A1RAB9ASTAT3
SCHEMBL9041896 0.72 CYP1A2 (0.61) KDM4ENPC1ALDH1A1RAB9ATP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0613470-B1 NOVEL 4-CINNOLINONE DERIVATIVES, THEIR PREPARATION AND APPLICATION IN THERAPY PF MEDICAMENT (FR) 1996-01-10 — — EP claimed
EP-0519140-A1 Method for the preparation of substituted 1,4-dihydro-4-oxo-cinnoline-3-carboxylic acid, esters and salts thereof, and intermediates used in their preparation HYBRINOVA (FR) 1992-12-23 — — EP disclosed
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