SCHEMBL7999035

SCHEMBL7999035

O=C(c1ccc(Cc2c(Cl)cc(N3N=CCNC3=O)cc2Cl)cc1)c1cnc(Cl)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
TDP1 Q9NUW8 3/20 0.33
VNN1 O95497 2/20 0.33
ALDH1A1 P00352 6/20 0.32
MAPT P10636 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MAOB P27338 1/20 0.31

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) VNN1ALDH1A1NPC1
SCHEMBL7990339 0.89 PARP1 (0.34) KMT2AMEN1VNN1MAPTL3MBTL1
SCHEMBL7999106 0.88 CCR9 (0.33) KMT2AMEN1TDP1VNN1ALDH1A1
SCHEMBL8002706 0.87 LSS (0.34) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8002443 0.86 MAPT (0.34) MAPTSMN1; SMN2
SCHEMBL7990124 0.86 TOP2A (0.38)
SCHEMBL8001979 0.86 SRD5A2 (0.40) KMT2AMEN1TDP1ALDH1A1MAPT
SCHEMBL8000233 0.85 KDM4A (0.32)
SCHEMBL8002360 0.85 DAO (0.32)
SCHEMBL8002345 0.85 AR (0.30)

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