SCHEMBL28475970

SCHEMBL28475970

COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccc(F)cc12

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 8/20 0.78
▸ DHODH Q02127 8/20 0.64
▸ KDM4E B2RXH2 1/20 0.60
▸ ALDH1A1 P00352 2/20 0.55
▸ PTGES O14684 1/20 0.55
▸ ALOX5 P09917 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ CASP7 P55210 1/20 0.55
▸ HIF1A Q16665 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ THRB P10828 1/20 0.55

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
SCHEMBL5792945 0.88 PLA2G2A (0.78) PLA2G2ADHODHALDH1A1GAATP53
SCHEMBL6186359 0.86 DHODH (0.85) PLA2G2ADHODHKDM4EALDH1A1PTGES
SCHEMBL26074099 0.86 PLA2G2A (0.75) PLA2G2ADHODHKDM4EALDH1A1GAA
SCHEMBL28464923 0.85 PLA2G2A (0.86) PLA2G2ADHODHKDM4EALDH1A1PTGES
SCHEMBL17923184 0.84 MAPT (0.74) PLA2G2ADHODHKDM4EALDH1A1CYP2C9
SCHEMBL27951590 0.84 PLA2G2A (0.80) PLA2G2ADHODHKDM4EALDH1A1PTGES
SCHEMBL27938966 0.83 PLA2G2A (0.78) PLA2G2ADHODHKDM4EALDH1A1PTGES
SCHEMBL20472457 0.82 KDM4E (0.68) PLA2G2ADHODHKDM4EALDH1A1HSD17B10
SCHEMBL28693800 0.81 KDM4E (0.72) PLA2G2ADHODHKDM4EALDH1A1HPGD
SCHEMBL26074118 0.79 PLA2G2A (0.64) PLA2G2ADHODHKDM4EALDH1A1

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
CN-109336811-B Preparation method of quinoline-4-formate compound 浙江工业大学 2020-10-09 — — CN disclosed
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