SCHEMBL11212583

SCHEMBL11212583

Cc1c(O)cn(C)c(=O)c1C#N

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.45
MAPT P10636 8/20 0.41
LMNA P02545 1/20 0.41
CYP2C9 P11712 1/20 0.41
MEN1 O00255 8/20 0.40
KMT2A Q03164 8/20 0.40
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 2/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37
USP2 O75604 1/20 0.37
THRB P10828 1/20 0.36
UPP1 Q16831 1/20 0.36

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
SCHEMBL11211118 0.78 TYR (0.47) KDM4EMAPTLMNAMEN1KMT2A
SCHEMBL20709909 0.78 MAPT (0.41) KDM4EMAPTLMNACYP2C9MEN1
SCHEMBL7769415 0.77 KDM4E (0.43) KDM4EMAPTLMNAMEN1KMT2A
SCHEMBL11211380 0.76 TYR (0.50) KDM4EMAPTLMNAMEN1KMT2A
SCHEMBL11214719 0.75 KDM4E (0.48) KDM4EMAPTLMNAMEN1KMT2A
SCHEMBL11208013 0.74 TYR (0.44) KDM4EMAPTLMNACYP2C9MEN1
SCHEMBL11216542 0.74 TYR (0.44) KDM4EMAPTLMNACYP2C9MEN1
SCHEMBL11131096 0.74 TYR (0.44) KDM4EMAPTLMNACYP2C9MEN1
SCHEMBL25469043 0.73 KDM4E (0.42) KDM4EMAPTLMNACYP2C9MEN1
SCHEMBL8821197 0.73 ALDH1A1 (0.47) KDM4EMAPTLMNACYP2C9MEN1

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-0085823-A1 Dye mixture, process for its preparation and its use in dyeing and printing hydrophobic textile material CIBA-GEIGY AG (CH) 1983-08-17 EP disclosed