SCHEMBL8005161

SCHEMBL8005161

O=C(c1ccc(Cc2c(Cl)cc(N3N=CCNC3=O)cc2Cl)cc1)c1cccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 3/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 2/20 0.36
HPGDS O60760 1/20 0.36
TSHR P16473 1/20 0.35
CNR2 P34972 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 2/20 0.33
JAK3 P52333 2/20 0.33
PARP1 P09874 1/20 0.33
CHEK2 O96017 1/20 0.33
CYP2C9 P11712 2/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL8002706 0.86 LSS (0.34) HPGDRAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL7470125 0.85 VNN1 (0.34) NPC1ALDH1A1HTT
SCHEMBL8001979 0.83 SRD5A2 (0.40) SMN1; SMN2ALDH1A1TP53MAPTHTT
SCHEMBL8000417 0.83 MEN1 (0.34) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL8002345 0.82 AR (0.30)
SCHEMBL7839566 0.82 KMT2A (0.39) TP53MAPTTSHRMEN1KMT2A
SCHEMBL8001913 0.81 TSHR (0.34) TSHRCNR2JAK3CHEK2
SCHEMBL8002378 0.81 KMT2A (0.41) TP53MAPTTSHRMEN1KMT2A
SCHEMBL7990339 0.81 PARP1 (0.34) RAB9ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL8000233 0.81 KDM4A (0.32)

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