SCHEMBL9736104

SCHEMBL9736104

c1ccc(CNc2c3c(nc4ccccc24)C2CCC3S2)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
POLB P06746 1/20 0.57
RAD52 P43351 1/20 0.57
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
HTT P42858 1/20 0.51
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47
BACE1 P56817 1/20 0.47
APP P05067 1/20 0.45

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
SCHEMBL9103472 0.81 KMT2A (0.60) KMT2APOLBRAD52KDM4EMEN1
SCHEMBL9108166 0.79 KMT2A (0.57) KMT2APOLBRAD52KDM4EMEN1
SCHEMBL9108274 0.79 KMT2A (0.57) KMT2APOLBRAD52KDM4EMEN1
SCHEMBL1868598 0.75 RAD52 (1.00) KMT2APOLBRAD52KDM4EMEN1
SCHEMBL10286345 0.73 KMT2A (0.60) KMT2APOLBRAD52KDM4EMEN1
Suronacrine SCHEMBL975421 0.73
SCHEMBL9171253 0.72 KMT2A (0.59) KMT2APOLBRAD52KDM4EMEN1
SCHEMBL10870031 0.70 KDM4E (0.53) KMT2AKDM4EMEN1HTT
SCHEMBL10870026 0.69 KDM4E (0.54) KMT2AKDM4EMEN1HTT
SCHEMBL8022948 0.69 MEN1 (0.97) KMT2AKDM4EMEN1HTTBCHE

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-5112830-A Cognition Activators HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1992-05-12 US claimed