SCHEMBL7998535

SCHEMBL7998535

O=C(c1ccc(Cc2c(Cl)cc(NN=Cc3ccccc3)cc2Cl)cc1)c1ccnc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.39
RAB9A P51151 12/20 0.39
GAA P10253 10/20 0.39
MEN1 O00255 8/20 0.39
KMT2A Q03164 8/20 0.39
POLB P06746 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HSP90AA1 P07900 1/20 0.38
GFER P55789 1/20 0.38
MAPT P10636 8/20 0.37
HPGD P15428 2/20 0.37
MAPK1 P28482 2/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
MITF O75030 1/20 0.36
PKM P14618 1/20 0.36
XBP1 P17861 1/20 0.36

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
SCHEMBL7998534 1.00 NPC1 (0.39) NPC1RAB9AGAAMEN1KMT2A
SCHEMBL8002204 0.87 NPC1 (0.40) NPC1RAB9AGAAMEN1KMT2A
SCHEMBL8002208 0.87 NPC1 (0.40) NPC1RAB9AGAAMEN1KMT2A
SCHEMBL7483627 0.87 MEN1 (0.49) NPC1RAB9AGAAMEN1KMT2A
SCHEMBL7483622 0.87 MEN1 (0.49) NPC1RAB9AGAAMEN1KMT2A
SCHEMBL8005181 0.85 KMT2A (0.39) NPC1RAB9AGAAMEN1KMT2A
SCHEMBL8005183 0.85 KMT2A (0.39) NPC1RAB9AGAAMEN1KMT2A
SCHEMBL7998769 0.84 KMT2A (0.42) NPC1RAB9AGAAMEN1KMT2A
SCHEMBL7998767 0.84 KMT2A (0.42) NPC1RAB9AGAAMEN1KMT2A
SCHEMBL7990051 0.81 NPC1 (0.37) NPC1RAB9AGAAMEN1KMT2A

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