SCHEMBL2466748

SCHEMBL2466748

CCCOc1cc2c(cc1NC(C)=O)CCCO2.CCCOc1cc2c(cc1NC(C)=O)CCCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.43
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 5/20 0.43
KDM4E B2RXH2 4/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
POLB P06746 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36
MTNR1A P48039 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CREBBP Q92793 1/20 0.35

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
SCHEMBL2588737 1.00 KMT2A (0.43) KMT2AALDH1A1MEN1KDM4EHSD17B10
SCHEMBL2581668 0.95 KMT2A (0.43) KMT2AALDH1A1MEN1KDM4EHSD17B10
SCHEMBL2463263 0.95 KMT2A (0.43) KMT2AALDH1A1MEN1KDM4EHSD17B10
SCHEMBL2464367 0.88 ALDH1A1 (0.44) KMT2AALDH1A1MEN1KDM4EHSD17B10
SCHEMBL2464475 0.83 ALDH1A1 (0.46) KMT2AALDH1A1MEN1KDM4EHSD17B10
SCHEMBL2589225 0.83 CA9 (0.47) KMT2AALDH1A1MEN1KDM4ENPC1
SCHEMBL27825249 0.79 CTNNB1 (0.42) KMT2AMEN1KDM4EHSD17B10NPC1
SCHEMBL26133140 0.77 KDM4E (0.47) KMT2AALDH1A1MEN1KDM4EHSD17B10
SCHEMBL15472216 0.76 NPC1 (0.40) KMT2AMEN1KDM4ENPC1RAB9A
SCHEMBL2464411 0.76 KDM4E (0.42) KMT2AALDH1A1MEN1KDM4EMAPT

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
EP-2364298-A1 Quinolone compound and pharmaceutical composition Otsuka Pharmaceutical Co., Ltd. (JP) 2011-09-14 EP disclosed
WO-2010064735-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-06-10 WO disclosed