SCHEMBL8000213

SCHEMBL8000213

O=C(c1ccc(Cc2c(Cl)cc(N3N=CCNC3=O)cc2Cl)cc1)c1ncc(Cl)c(Cl)c1Cl

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTGDR2 Q9Y5Y4 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 0.85 VNN1 (0.34)
SCHEMBL7990339 0.85 PARP1 (0.34) RAB9ASMN1; SMN2
SCHEMBL8002706 0.84 LSS (0.34) RAB9ASMN1; SMN2
SCHEMBL7999035 0.84 KMT2A (0.34) KDM4ERAB9ASMN1; SMN2
SCHEMBL8001979 0.83 SRD5A2 (0.40) KDM4EPOLBSMN1; SMN2
SCHEMBL7999106 0.83 CCR9 (0.33)
SCHEMBL8000233 0.83 KDM4A (0.32)
SCHEMBL8002345 0.82 AR (0.30)
SCHEMBL8002443 0.82 MAPT (0.34) SMN1; SMN2
SCHEMBL7839566 0.82 KMT2A (0.39) POLB

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