SCHEMBL7990124

SCHEMBL7990124

O=C(c1ccc(Cc2c(Cl)cc(N3N=CCNC3=O)cc2Cl)cc1)c1cnc2ccccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.38
TOP2B Q02880 1/20 0.38
CHEK2 O96017 1/20 0.37
CCR3 P51677 1/20 0.37
MGAM O43451 1/20 0.36
CFTR P13569 1/20 0.35
PLD2 O14939 2/20 0.35
PLD1 Q13393 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
FAAH O00519 4/20 0.35
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
PARP1 P09874 1/20 0.34
DOT1L Q8TEK3 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
ABCB1 P08183 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL8002277 0.88 DRD2 (0.35) DRD2DRD3
SCHEMBL7999035 0.86 KMT2A (0.34)
SCHEMBL7990339 0.85 PARP1 (0.34) PARP1
SCHEMBL7999046 0.85 CNR2 (0.46) PARP1
SCHEMBL7470125 0.84 VNN1 (0.34)
SCHEMBL7999106 0.84 CCR9 (0.33)
SCHEMBL7989868 0.83 CHEK2 (0.37) CHEK2FAAH
SCHEMBL8002345 0.83 AR (0.30)
SCHEMBL8002706 0.83 LSS (0.34) HDAC6
SCHEMBL8002443 0.83 MAPT (0.34)

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