SCHEMBL7658773

SCHEMBL7658773

CCCN(C(=O)c1c(O)c2c(CSC)cccc2[nH]c1=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 4/20 0.37
POLB P06746 2/20 0.37
RAB9A P51151 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
APLNR P35414 1/20 0.35
HSD17B10 Q99714 1/20 0.34
GSK3B P49841 1/20 0.34

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
SCHEMBL1229239 0.79 TP53 (0.41) TP53MEN1KMT2AKDM4EALDH1A1
SCHEMBL5189407 0.78 KDM5A (0.40) TP53MEN1KMT2AKDM4EPOLB
SCHEMBL2485564 0.76 MEN1 (0.45) TP53MEN1KMT2AKDM4ERAB9A
SCHEMBL7865102 0.75 MEN1 (0.38) TP53MEN1KMT2AKDM4EPOLB
SCHEMBL18751640 0.75 TP53 (0.51) TP53MEN1KMT2AKDM4EALDH1A1
SCHEMBL7861688 0.74 MEN1 (0.39) TP53MEN1KMT2AKDM4EPOLB
SCHEMBL7615932 0.72 MAPT (0.39) KDM4ERAB9ATDP1HSD17B10GSK3B
SCHEMBL15200926 0.70 MEN1 (0.41) TP53MEN1KMT2AKDM4EALDH1A1
SCHEMBL5788461 0.70 MEN1 (0.40) TP53MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL12009980 0.69 GRIN2D (0.43) TP53KDM4E

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-1097139-B1 QUINOLINE DERIVATIVES ACTIVE BIOTECH AB (SE) 2002-12-04 EP claimed