SCHEMBL7990341

SCHEMBL7990341

O=C1NCC=NN1c1cc(Cl)c(Cc2ccc(C(O)c3ccc(Cl)cc3)cc2)c(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
DAO P14920 1/20 0.32
DRD4 P21917 3/20 0.30
KDM4A O75164 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
KDM5B Q9UGL1 1/20 0.30
CCR2 P41597 1/20 0.30

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
SCHEMBL7838791 0.91 ALDH1A1 (0.35) ALDH1A1PKMDAOKDM4AKDM4C
SCHEMBL8005167 0.90 PRMT5 (0.31)
SCHEMBL8001879 0.90
SCHEMBL7998640 0.89 ALDH1A1 (0.30) ALDH1A1
SCHEMBL8002371 0.88 SMN1; SMN2 (0.38)
SCHEMBL8000276 0.87 GSK3A (0.30)
SCHEMBL8002347 0.86 PRMT5 (0.30)
SCHEMBL7999093 0.86
SCHEMBL8005151 0.86
SCHEMBL7998698 0.86 CYP17A1 (0.35)

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-6294536-B1 CONTROL OF PROTOZOA AND REDUCTION IN THE INCIDENCE OF ASSOCIATED DISEASES AND DEATH AND CONSEQUENT IMPROVEMENT IN RETARDED GROWTH AND GENERAL CONDITION AND PREVENTING DECREASE GROWTH AND GENERAL CONDITION TAKEDA SCHERING-PLOUGH ANIMAL HEALTH K.K. (JP) 2001-09-25 US disclosed