SCHEMBL11201799

SCHEMBL11201799

CC(=O)CC(Cl)c1ccco1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.50
ALDH1A1 P00352 7/20 0.50
MEN1 O00255 6/20 0.50
MAPT P10636 3/20 0.50
KDM4E B2RXH2 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
POLB P06746 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
PKM P14618 2/20 0.44
PTPN1 P18031 1/20 0.44
PTPN7 P35236 1/20 0.44
BLM P54132 1/20 0.44
ESR2 Q92731 1/20 0.44
CYP2C19 P33261 2/20 0.44
MIF P14174 1/20 0.42
HPGD P15428 3/20 0.42
GLA P06280 1/20 0.42
RECQL P46063 1/20 0.42
ALOX5 P09917 1/20 0.41
AGTR1 P30556 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
SCHEMBL11400809 0.81 CYP2C19 (0.54) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL12897248 0.79 KMT2A (0.55) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL13987057 0.79 KMT2A (0.47) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL27908862 0.78 ALDH1A1 (0.46) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL2912486 0.78 KMT2A (0.46) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL29110955 0.78 MIF (0.50) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL28421004 0.75 KMT2A (0.50) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL5761972 0.74
SCHEMBL5763413 0.74
SCHEMBL10938332 0.74 ALDH1A1 (0.48) KMT2AALDH1A1MEN1MAPTKDM4E

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
EP-0084941-A1 Amide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-08-03 EP disclosed