SCHEMBL8000417

SCHEMBL8000417

O=C(c1ccc(Cc2c(Cl)cc(N3N=CCNC3=O)cc2Cl)cc1)c1ccc[nH]1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 2/20 0.34
HSD17B10 Q99714 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PARP1 P09874 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
GAA P10253 1/20 0.31
MT-CO1 P00395 1/20 0.31
MT-CO2 P00403 1/20 0.31
KAT8 Q9H7Z6 2/20 0.31
ATM Q13315 1/20 0.31
AR P10275 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL7470125 0.87 VNN1 (0.34) NPC1ALDH1A1MAPK1MT-CO1MT-CO2
SCHEMBL8000203 0.87 GAA (0.36) NPC1RAB9AKMT2ASMN1; SMN2GAA
SCHEMBL8002706 0.86 LSS (0.34) MEN1RAB9AKMT2AHSD17B10SMN1; SMN2
SCHEMBL8001979 0.85 SRD5A2 (0.40) MEN1KMT2ASMN1; SMN2PARP1ALDH1A1
SCHEMBL8002451 0.84 MAP2K1 (0.41) MEN1NPC1RAB9AKMT2A
SCHEMBL8002345 0.84 AR (0.30) AR
SCHEMBL8000350 0.83
SCHEMBL7839566 0.83 KMT2A (0.39) MEN1KMT2APARP1MT-CO1MT-CO2
SCHEMBL8005161 0.83 HPGD (0.38) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL8002378 0.83 KMT2A (0.41) MEN1KMT2APARP1MT-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