SCHEMBL7998973

SCHEMBL7998973

O=C(c1ccc(Sc2c(Cl)cc(N/N=C/c3ccccc3)cc2Cl)cc1)c1ccc(Cl)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.39
NPC1 O15118 9/20 0.39
RAB9A P51151 9/20 0.39
MEN1 O00255 8/20 0.39
KMT2A Q03164 8/20 0.39
MAPT P10636 7/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
NFKB1 P19838 3/20 0.39
NFKB2 Q00653 3/20 0.39
RELA Q04206 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HSP90AA1 P07900 1/20 0.39
POLB P06746 5/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GFER P55789 1/20 0.39
NSD2 O96028 1/20 0.39
RECQL P46063 1/20 0.39
MCL1 Q07820 1/20 0.39

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
SCHEMBL7998975 1.00 GAA (0.39) GAANPC1RAB9AMEN1KMT2A
SCHEMBL8002204 0.82 NPC1 (0.40) GAANPC1RAB9AMEN1KMT2A
SCHEMBL8002208 0.82 NPC1 (0.40) GAANPC1RAB9AMEN1KMT2A
SCHEMBL8002011 0.79 NPC1 (0.37) GAANPC1RAB9AMEN1KMT2A
SCHEMBL7990055 0.79 NPC1 (0.37) GAANPC1RAB9AMEN1KMT2A
SCHEMBL7990051 0.79 NPC1 (0.37) GAANPC1RAB9AMEN1KMT2A
SCHEMBL8002014 0.79 NPC1 (0.37) GAANPC1RAB9AMEN1KMT2A
SCHEMBL7990318 0.75 NAPRT (0.43) GAANPC1RAB9AMEN1KMT2A
SCHEMBL7998519 0.74 L3MBTL1 (0.32) GAANPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL7998524 0.74 L3MBTL1 (0.32) GAANPC1RAB9AKMT2ASMN1; SMN2

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