SCHEMBL8005622

SCHEMBL8005622

COC(CNC(=O)N(/N=C/c1ccccc1)c1cc(Cl)c(Cc2ccc(C(=O)c3ccc(Cl)cc3)c(C)c2)c(Cl)c1)OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.36
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 2/20 0.32
CYP1A2 P05177 3/20 0.32
CYP2C9 P11712 3/20 0.32
CYP2C19 P33261 3/20 0.32
CYP2D6 P10635 1/20 0.32
CNR2 P34972 1/20 0.31
PPARG P37231 1/20 0.31
LMNA P02545 3/20 0.31
MAPT P10636 2/20 0.31
CYP3A4 P08684 2/20 0.30
GAA P10253 1/20 0.30
NPSR1 Q6W5P4 2/20 0.30
PTGER4 P35408 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL8005624 1.00 SRD5A2 (0.36) SRD5A2KMT2AMEN1POLBALDH1A1
SCHEMBL7830131 0.86 LMNA (0.35) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL8000238 0.84 LMNA (0.34) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL7839893 0.83 MRGPRX4 (0.34) KMT2AMEN1ALDH1A1KDM4EPPARG
SCHEMBL8002325 0.83 KDM4E (0.33) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL7829241 0.82 KMT2A (0.36) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL7829244 0.82 KMT2A (0.36) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL8001906 0.80 LMNA (0.32) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL8001911 0.80 LMNA (0.32) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL7837274 0.76 UTS2R (0.33) KMT2AMEN1POLBALDH1A1L3MBTL1

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