SCHEMBL7989885

SCHEMBL7989885

O=C1NCC=NN1c1cc(Cl)c(Cc2ccc(C(O)c3cnc4ccccc4n3)cc2)c(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33

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 0.89 S1PR3 (0.32) S1PR3
SCHEMBL7989868 0.88 CHEK2 (0.37)
SCHEMBL7990341 0.84 ALDH1A1 (0.33)
SCHEMBL8001879 0.83
SCHEMBL7998640 0.82 ALDH1A1 (0.30)
SCHEMBL8002277 0.82 DRD2 (0.35)
SCHEMBL8002369 0.81 FAAH (0.31)
SCHEMBL7999093 0.81
SCHEMBL8002371 0.81 SMN1; SMN2 (0.38)
SCHEMBL8002032 0.81 LMNA (0.43) S1PR1S1PR3

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