SCHEMBL10635530

SCHEMBL10635530

COC(=O)CNC(=O)c1cccc2c(Br)cccc12

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.56
MEN1 O00255 8/20 0.56
AHR P35869 1/20 0.56
MAPT P10636 1/20 0.48
PRNP P04156 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALOX5 P09917 1/20 0.42
MAPK1 P28482 1/20 0.42
GAA P10253 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
SCHEMBL436252 0.84 KMT2A (0.44) KMT2AMEN1MAPTKDM4EMAPK1
SCHEMBL3792160 0.82 PLK1 (0.58) KMT2AMEN1KDM4E
SCHEMBL31060081 0.82 PLK1 (0.58) KMT2AMEN1KDM4E
SCHEMBL21323506 0.80 GLA (0.49) KMT2AMEN1KDM4EMAPK1GAA
SCHEMBL28485658 0.78 KMT2A (0.61) KMT2AMEN1AHRMAPTPRNP
SCHEMBL7838770 0.78 KMT2A (0.54) KMT2AMEN1AHRMAPTPRNP
SCHEMBL2646933 0.76 KMT2A (0.57) KMT2AMEN1AHRPRNPKDM4E
SCHEMBL8185833 0.76 KMT2A (0.63) KMT2AMEN1AHRMAPTPRNP
SCHEMBL29583255 0.76 KMT2A (0.57) KMT2AMEN1AHRPRNPKDM4E
SCHEMBL30737331 0.75 MEN1 (0.47) KMT2AMEN1AHRMAPT

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-0104078-B1 NAPHTHALENYLTHIAZOLE DERIVATIVES AYERST, MCKENNA AND HARRISON INC. (CA) 1988-07-06 EP disclosed
US-4446150-A TREATING DIABETIC COMPLICATIONS AYERST, MCKENNA & HARRISON, INC. (CA) 1984-05-01 US disclosed