SCHEMBL8002014

SCHEMBL8002014

Cc1cc(NN=Cc2ccccc2)cc(Cl)c1Cc1ccc(C(=O)c2ccc(Cl)nc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.37
RAB9A P51151 7/20 0.37
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
POLB P06746 5/20 0.37
GAA P10253 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.37
HSP90AA1 P07900 1/20 0.36
MAPT P10636 5/20 0.36
TDP1 Q9NUW8 3/20 0.36
GFER P55789 1/20 0.36
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35

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
SCHEMBL8002011 1.00 NPC1 (0.37) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL8002204 0.94 NPC1 (0.40) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL8002208 0.94 NPC1 (0.40) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL7990051 0.89 NPC1 (0.37) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL7990055 0.89 NPC1 (0.37) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL7998767 0.88 KMT2A (0.42) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL7998769 0.88 KMT2A (0.42) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL8000137 0.84 MAPT (0.39) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL8005181 0.83 KMT2A (0.39) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL8005183 0.83 KMT2A (0.39) NPC1RAB9AMEN1KMT2APOLB

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 2 patents. 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
WO-1999011634-A1 TRIAZINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-11 WO disclosed