SCHEMBL28130384

SCHEMBL28130384

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.68
▸ ALDH1A1 P00352 4/20 0.68
▸ HPGD P15428 3/20 0.68
▸ HSD17B10 Q99714 3/20 0.68
▸ POLB P06746 3/20 0.68
▸ PLA2G2A P14555 8/20 0.64
▸ LMNA P02545 3/20 0.59
▸ BACE1 P56817 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ ATM Q13315 1/20 0.48

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
SCHEMBL16832843 0.93 PLA2G2A (0.69) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL15129579 0.90 KDM4E (0.73) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL28130383 0.89 PLA2G2A (0.67) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL16832417 0.86 KDM4E (0.72) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL28100584 0.85 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL28100426 0.84 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL2910558 0.84 PLA2G2A (0.54) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL16832328 0.83 PLA2G2A (0.64) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL24916118 0.83 PLA2G2A (0.53) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL28602079 0.83 PLA2G2A (0.58) KDM4EALDH1A1HPGDHSD17B10POLB

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
CN-106380446-B Synthesis method of quinoline-2 formate derivative 南阳师范学院 2021-06-18 — — CN disclosed
CN-106380446-A Synthesis method of quinoline-2-formic acid ester derivatives 南阳师范学院 2017-02-08 — — CN disclosed
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