SCHEMBL28608277

SCHEMBL28608277

COC(=O)c1cc(C(=O)O)c2cc(C(F)(F)F)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 1/20 0.51
▸ CDK2 P24941 6/20 0.48
▸ ALDH1A1 P00352 4/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ MAPT P10636 1/20 0.45
▸ SORT1 Q99523 3/20 0.44
▸ USP2 O75604 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ DHODH Q02127 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ CSNK1D P48730 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PLA2G2A P14555 1/20 0.41

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
SCHEMBL9642486 0.90 CFTR (0.51) CFTRCDK2ALDH1A1KDM4EMAPT
SCHEMBL28496945 0.86 KDM4E (0.49) CDK2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL30120650 0.86 KDM4E (0.49) CDK2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL19579754 0.85 CFTR (0.49) CFTRCDK2ALDH1A1KDM4EHPGD
SCHEMBL28602079 0.82 PLA2G2A (0.58) ALDH1A1KDM4EHPGDHSD17B10DHODH
SCHEMBL28100426 0.81 KDM4E (0.56) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL28130384 0.80 KDM4E (0.68) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL28100420 0.80 PLA2G2A (0.58) CDK2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL28100530 0.80 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL28100421 0.78 NQO2 (0.44) ALDH1A1KDM4EHPGDHSD17B10POLB

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-106380446-B Synthesis method of quinoline-2 formate derivative 南阳师范学院 2021-06-18 — — CN disclosed
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