SCHEMBL8001906

SCHEMBL8001906

COC(CNC(=O)N(/N=C/c1ccccc1)c1cc(Cl)c(Cc2ccc(C(=O)c3ccc(Cl)nc3)cc2)c(Br)c1)OC

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
GRM4 Q14833 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
SCHEMBL8001911 1.00 LMNA (0.32) LMNAL3MBTL1KDM4EALDH1A1NPC1
SCHEMBL8000241 0.95 LMNA (0.34) LMNAL3MBTL1KDM4EALDH1A1NPC1
SCHEMBL8000238 0.95 LMNA (0.34) LMNAL3MBTL1KDM4EALDH1A1NPC1
SCHEMBL8002325 0.92 KDM4E (0.33) LMNAL3MBTL1KDM4EALDH1A1NPC1
SCHEMBL8002328 0.92 KDM4E (0.33) LMNAL3MBTL1KDM4EALDH1A1NPC1
SCHEMBL7998524 0.84 L3MBTL1 (0.32) LMNAL3MBTL1KDM4EALDH1A1NPC1
SCHEMBL7998519 0.84 L3MBTL1 (0.32) LMNAL3MBTL1KDM4EALDH1A1NPC1
SCHEMBL7830131 0.83 LMNA (0.35) LMNAL3MBTL1KDM4EALDH1A1NPC1
SCHEMBL8005622 0.80 SRD5A2 (0.36) LMNAL3MBTL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL8005624 0.80 SRD5A2 (0.36) LMNAL3MBTL1KDM4EALDH1A1SMN1; SMN2

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