SCHEMBL8542152

SCHEMBL8542152

COC(=O)CCN(CCC#N)c1cccc(C)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.44
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 1/20 0.43
THRB P10828 1/20 0.43
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.38
USP2 O75604 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ATM Q13315 1/20 0.37
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 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
SCHEMBL10893492 0.89 GFER (0.43) GFERALDH1A1MEN1KMT2ARAB9A
SCHEMBL11330158 0.85 USP2 (0.51) ALDH1A1MEN1KMT2AKDM4ETHRB
SCHEMBL8926268 0.84 GFER (0.43) GFERALDH1A1MEN1KMT2AKDM4E
SCHEMBL11417448 0.83 GFER (0.51) GFERALDH1A1MEN1KMT2AKDM4E
SCHEMBL11347164 0.82 MEN1 (0.46) ALDH1A1MEN1KMT2AKDM4ETHRB
SCHEMBL11653974 0.81 KMT2A (0.44) GFERALDH1A1MEN1KMT2AKDM4E
SCHEMBL11593051 0.80 MEN1 (0.41) GFERALDH1A1MEN1KMT2AKDM4E
SCHEMBL10997339 0.80 ALDH1A1 (0.43) GFERALDH1A1MEN1KMT2AKDM4E
SCHEMBL9300167 0.80 GFER (0.42) GFERALDH1A1MEN1KMT2AKDM4E
SCHEMBL11793632 0.80 GFER (0.42) GFERALDH1A1MEN1KMT2AKDM4E

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-0745153-B1 DISAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF ZENECA LTD (GB) 1998-09-30 EP disclosed
US-5782934-A Process of dyeing with disazo dyes containing a fluorosulphonyl group and use thereof ZENECA LIMITED (GB) 1998-07-21 US disclosed