SCHEMBL8000203

SCHEMBL8000203

O=C(c1ccc(Cc2c(Cl)cc(N3N=CCNC3=O)cc2Cl)cc1)c1cnc[nH]1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL8000417 0.87 MEN1 (0.34) GAANPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL8002706 0.86 LSS (0.34) RAB9AKMT2ASMN1; SMN2
SCHEMBL7470125 0.85 VNN1 (0.34) NPC1
SCHEMBL8002443 0.84 MAPT (0.34) SMN1; SMN2
SCHEMBL8001979 0.83 SRD5A2 (0.40) TP53KMT2ASMN1; SMN2
SCHEMBL7990339 0.83 PARP1 (0.34) RAB9AKMT2ASMN1; SMN2
SCHEMBL8002345 0.82 AR (0.30)
SCHEMBL8002387 0.82 HTT (0.47) GAANPC1TP53RAB9AKMT2A
SCHEMBL7999035 0.82 KMT2A (0.34) NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL7839566 0.82 KMT2A (0.39) TP53KMT2A

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