SCHEMBL6709743

SCHEMBL6709743

Cc1cc(C)cc(OCC(=O)Nc2nc3c(C)cccc3[nH]2)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MAPT P10636 5/20 0.54
TP53 P04637 2/20 0.54
ALDH1A1 P00352 2/20 0.53
ALOX12 P18054 1/20 0.53
THRB P10828 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
RECQL P46063 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HPGD P15428 1/20 0.47
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL6709714 0.87 NPC1 (0.52) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL3413861 0.76 HPSE (0.55) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL6189368 0.76 MMP2 (0.47) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL4900862 0.75 ADORA2A (0.52) KMT2AMEN1NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL11576683 0.75 HPSE (0.53) NPC1RAB9ASMN1; SMN2MAPTTP53
Phosphoric Acid SCHEMBL11576943 0.74 MAOB (0.51) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL6711174 0.72 KMT2A (0.56) KMT2AMEN1NPC1RAB9ASMN1; SMN2
Sulfuric Acid SCHEMBL11575852 0.71 HPSE (0.50) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL11703118 0.70 MAOB (0.71) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL24195592 0.70 ADORA3 (0.55) KMT2AMEN1NPC1RAB9ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1248615-A4 THIAZOLE, IMIDAZOLE AND OXAZOLE COMPOUNDS AND TREATMENTS OF DISORDERS ASSOCIATED WITH PROTEIN AGING ALTEON INC (US) 2004-08-04 EP disclosed
EP-1248615-A1 THIAZOLE, IMIDAZOLE AND OXAZOLE COMPOUNDS AND TREATMENTS OF DISORDERS ASSOCIATED WITH PROTEIN AGING Alteon, Inc. (US) 2002-10-16 EP disclosed
WO-2001052847-A1 THIAZOLE, IMIDAZOLE AND OXAZOLE COMPOUNDS AND TREATMENTS OF DISORDERS ASSOCIATED WITH PROTEIN AGING ALTEON, INC. (US) 2001-07-26 WO disclosed