SCHEMBL5200499

SCHEMBL5200499

Nc1ccc(OC(=O)O)c2c1OCO2

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL5203052 0.79 KDM4E (0.37) KDM4ELMNAMAPTALDH1A1HSD17B10
SCHEMBL5201408 0.74 TXNRD1 (0.45) KDM4EMAPTALDH1A1
SCHEMBL8951994 0.74 KDM4C (0.41) KDM4ELMNAALDH1A1
SCHEMBL4822393 0.73 KDM4E (0.42) KDM4EMAPTALDH1A1HSD17B10
SCHEMBL9214485 0.70 LMNA (0.43) LMNAALDH1A1
SCHEMBL14221251 0.69 PARP1 (0.49) KDM4EMAPTALDH1A1HSD17B10
SCHEMBL1552386 0.68 KMT2A (0.32) KDM4ELMNAMAPTALDH1A1HSD17B10
SCHEMBL10749320 0.68 KDM4E (0.47) KDM4ELMNAMAPTALDH1A1HSD17B10
SCHEMBL7754586 0.64 MAPT (0.48) KDM4ELMNAMAPTALDH1A1HSD17B10
SCHEMBL1954453 0.64 ALDH1A1 (0.52) KDM4ELMNAMAPTALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1492771-B1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AG (DE) 2007-02-28 EP disclosed
EP-1492771-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-01-05 EP disclosed
WO-2003082827-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-09 WO disclosed