SCHEMBL6998461

SCHEMBL6998461

CC(=O)OCc1c(C)c(=O)[nH]c2c(Cl)cccc12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.49
HSD17B10 Q99714 2/20 0.49
RXFP1 Q9HBX9 1/20 0.45
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
LMNA P02545 3/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DAO P14920 1/20 0.38
MAPT P10636 2/20 0.38

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
SCHEMBL6991969 0.81 DYRK1A (0.44) KDM4ERXFP1CDK1CCNB1LMNA
SCHEMBL6998457 0.74 ALDH1A1 (0.50) KDM4EHSD17B10LMNAHPGDALDH1A1
SCHEMBL1092493 0.74 ALDH1A1 (0.52) KDM4ELMNAHPGDSMN1; SMN2L3MBTL1
SCHEMBL3641835 0.73 DAO (0.49) KDM4ERXFP1L3MBTL1MEN1KMT2A
SCHEMBL6994828 0.72 LMNA (0.37) KDM4EHSD17B10LMNAHPGDSMN1; SMN2
SCHEMBL11734356 0.69 KDM4E (0.43) KDM4EHSD17B10RXFP1CDK1CCNB1
SCHEMBL4090248 0.68 CDK1 (0.57) KDM4ERXFP1CDK1CCNB1LMNA
SCHEMBL13034152 0.67 SMN1; SMN2 (0.57) LMNASMN1; SMN2L3MBTL1ALDH1A1MEN1
SCHEMBL26741264 0.67 ALDH1A1 (0.44) KDM4ELMNASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL4647196 0.67 ALDH1A1 (0.61) KDM4EHSD17B10LMNASMN1; SMN2L3MBTL1

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-1003724-B1 SUBSTITUTED QUINOLINE DERIVATIVES WITH ANTIVIRAL ACTION AVENTIS PHARMA GMBH (DE) 2003-02-12 EP disclosed
EP-1003724-A1 SUBSTITUTED QUINOLINE DERIVATIVES WITH ANTIVIRAL ACTION Aventis Pharma Deutschland GmbH (DE) 2000-05-31 EP disclosed
WO-1997037977-A1 SUBSTITUTED QUINOLINE DERIVATIVES WITH ANTIVIRAL ACTION HOECHST AKTIENGESELLSCHAFT (DE) 1997-10-16 WO disclosed