SCHEMBL7998737

SCHEMBL7998737

O=C(c1ccc(Cc2c(Cl)cc(N3N=CCNC3=O)cc2Cl)cc1)c1ccc(Cl)cc1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.36
SRD5A2 P31213 1/20 0.33
ALDH1A1 P00352 5/20 0.33
ALOX15 P16050 3/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HTT P42858 2/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PKM P14618 2/20 0.32
MT-CO1 P00395 1/20 0.32
MT-CO2 P00403 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL7470125 0.90 VNN1 (0.34) SRD5A2ALDH1A1HTTPKMMT-CO1
SCHEMBL8002517 0.86 TP53 (0.34) SRD5A2ALDH1A1ALOX15MAPTMEN1
SCHEMBL8002706 0.85 LSS (0.34) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL7838791 0.84 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL8001979 0.84 SRD5A2 (0.40) SRD5A2ALDH1A1ALOX15MAPTMEN1
SCHEMBL8002345 0.83 AR (0.30)
SCHEMBL8002443 0.83 MAPT (0.34) MAPTHTTMT-CO1MT-CO2SMN1; SMN2
SCHEMBL7999035 0.83 KMT2A (0.34) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL7839566 0.83 KMT2A (0.39) MAPTMEN1KMT2AMT-CO1MT-CO2
SCHEMBL8002378 0.82 KMT2A (0.41) MAPTMEN1KMT2AMT-CO1MT-CO2

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