SCHEMBL8002032

SCHEMBL8002032

O=C1NCC=NN1c1cc(Cl)c(Cc2ccc(C(O)c3nccc4ccccc34)cc2)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
NCOA3 Q9Y6Q9 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
SCHEMBL7998615 0.82 S1PR3 (0.32) S1PR3
SCHEMBL8004871 0.82 MAPT (0.37) LMNAMAPT
SCHEMBL8000201 0.82 CNR2 (0.41) MAPT
SCHEMBL8005151 0.81
SCHEMBL7989885 0.81 S1PR1 (0.33) S1PR1S1PR3
SCHEMBL7998640 0.80 ALDH1A1 (0.30)
SCHEMBL7990240 0.79
SCHEMBL8002347 0.76 PRMT5 (0.30)
SCHEMBL7998970 0.75
SCHEMBL7999021 0.75

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