SCHEMBL8000201

SCHEMBL8000201

O=C(c1ccc(Cc2c(Cl)cc(N3N=CCNC3=O)cc2Cl)cc1)c1nccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.41
CCR3 P51677 3/20 0.37
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGDR2 Q9Y5Y4 5/20 0.33
RAB9A P51151 1/20 0.33
HDAC6 Q9UBN7 1/20 0.32
EPHX2 P34913 1/20 0.32
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31
HCRTR1 O43613 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
SCHEMBL7990124 0.82 TOP2A (0.38) CCR3HDAC6
SCHEMBL7470125 0.82 VNN1 (0.34)
SCHEMBL8000213 0.82 KDM4E (0.31) PTGDR2RAB9A
SCHEMBL8002032 0.82 LMNA (0.43) MAPT
SCHEMBL8000233 0.82 KDM4A (0.32)
SCHEMBL7999046 0.81 CNR2 (0.46) CNR2MEN1MAPTKMT2ARAB9A
SCHEMBL8002451 0.81 MAP2K1 (0.41) MEN1KMT2ARAB9AHDAC6
SCHEMBL8005703 0.81 CYP19A1 (0.33) KMT2A
SCHEMBL8002345 0.81 AR (0.30)
SCHEMBL8002706 0.81 LSS (0.34) MEN1MAPTKMT2ARAB9AHDAC6

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