SCHEMBL7989868

SCHEMBL7989868

O=C1NCC=NN1c1cc(Cl)c(Cc2ccc(C(O)c3cnc4ccccc4c3)cc2)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.37
PIK3CD O00329 1/20 0.34
FAAH O00519 7/20 0.33
PDE10A Q9Y233 2/20 0.32
MTOR P42345 1/20 0.32
KDR P35968 2/20 0.31
PIK3CA P42336 1/20 0.31
OGA O60502 1/20 0.30
CYP3A4 P08684 2/20 0.30
CYP2D6 P10635 2/20 0.30
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 2/20 0.30
KCNH2 Q12809 1/20 0.30
RPS6KA3 P51812 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
SCHEMBL7989885 0.88 S1PR1 (0.33)
SCHEMBL7998615 0.85 S1PR3 (0.32)
SCHEMBL8000276 0.84 GSK3A (0.30)
SCHEMBL7990124 0.83 TOP2A (0.38) CHEK2FAAH
SCHEMBL8005273 0.82 P2RX7 (0.33) CYP3A4
SCHEMBL8002347 0.81 PRMT5 (0.30)
SCHEMBL7998970 0.80
SCHEMBL8005550 0.80
SCHEMBL7999093 0.78
SCHEMBL7838791 0.76 ALDH1A1 (0.35)

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