SCHEMBL9740604

SCHEMBL9740604

Cc1cc(C)n(-c2ccc(Cl)cc2)c(=O)c1C(=O)O.N#Cc1ccccc1O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 6/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NOTUM Q6P988 1/20 0.43
LMNA P02545 5/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
USP2 O75604 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.39
HTT P42858 2/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 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
SCHEMBL6751094 0.84 NOTUM (0.57) ALDH1A1KDM4ENPSR1NOTUMLMNA
4-Cyanophenol SCHEMBL27697371 0.83 TDP2 (0.48) ALDH1A1KDM4ENPSR1NOTUMLMNA
SCHEMBL9251071 0.83 NOTUM (0.56) ALDH1A1KDM4ENPSR1NOTUMLMNA
SCHEMBL680088 0.77 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1KDM4ENOTUM
SCHEMBL11462311 0.71 NOTUM (0.59) ALDH1A1KDM4ENPSR1NOTUMLMNA
SCHEMBL9251057 0.71 POLB (0.51) KMT2AMEN1ALDH1A1KDM4ENPSR1
SCHEMBL680519 0.71 L3MBTL1 (0.63) KMT2AMEN1ALDH1A1KDM4ENOTUM
SCHEMBL27697369 0.71 KDM4E (0.43) KMT2AALDH1A1KDM4ENPSR1NOTUM
SCHEMBL1718000 0.67 L3MBTL1 (0.51) KMT2AMEN1KDM4ENPSR1NOTUM
SCHEMBL31686290 0.66 NOTUM (0.48) KMT2AMEN1ALDH1A1KDM4ENOTUM

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
US-5160364-A Thiophene substituted acrylic derivatives; insecticides, plant growth regulators IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-11-03 US disclosed