SCHEMBL7678490

SCHEMBL7678490

Nc1ccccc1C(=O)NCCOCCO

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.59
HPGD P15428 7/20 0.59
HSD17B10 Q99714 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
MAPK1 P28482 2/20 0.59
TP53 P04637 1/20 0.59
KDM4E B2RXH2 7/20 0.54
RCE1 Q9Y256 1/20 0.48
LMNA P02545 1/20 0.47
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
USP2 O75604 1/20 0.45
CFTR P13569 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HTT P42858 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL18235578 0.89 SMN1; SMN2 (0.59) ALDH1A1HPGDHSD17B10SMN1; SMN2MAPK1
SCHEMBL1204120 0.84 ALDH1A1 (0.62) ALDH1A1HPGDHSD17B10SMN1; SMN2MAPK1
SCHEMBL5657977 0.83 MEN1 (0.58) ALDH1A1HPGDHSD17B10SMN1; SMN2MAPK1
SCHEMBL2546081 0.83 ALDH1A1 (0.68) ALDH1A1HPGDHSD17B10SMN1; SMN2MAPK1
SCHEMBL30223440 0.83 ALDH1A1 (0.68) ALDH1A1HPGDHSD17B10SMN1; SMN2MAPK1
SCHEMBL5657924 0.82 HPGD (0.62) ALDH1A1HPGDSMN1; SMN2MAPK1HDAC3
SCHEMBL13162943 0.82 NPC1 (0.59) ALDH1A1HPGDSMN1; SMN2MAPK1KDM4E
SCHEMBL13299189 0.82 SMN1; SMN2 (0.51) ALDH1A1HPGDHSD17B10SMN1; SMN2MAPK1
SCHEMBL5655209 0.82 NPC1 (0.65) HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL5657148 0.82 SMN1; SMN2 (0.51) ALDH1A1HPGDSMN1; SMN2MAPK1LMNA

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
US-6407116-B1 2,4-DIOXO-1,2,3,4-TETRAHYDROQUINAZOLINE DERIVATIVES; ANTIALLERGENS, ANTIASTHMATICS, ANTIHISTAMINES, AND ANTIINFLAMMATORY AGENTS TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2002-06-18 US disclosed
EP-1026160-A1 NITROGENOUS FUSED-RING COMPOUNDS, PROCESS FOR THE PREPARATION OF THE SAME, AND DRUGS Takeda Chemical Industries, Ltd. (JP) 2000-08-09 EP disclosed
EP-0855387-A1 2-ACYLAMINOBENZAMIDE DERIVATIVES AND PREVENTIVE AND REMEDY FOR DISEASES CAUSED BY THE SUPERMULTIPLICATION OF VASCULAR INTIMAL CELLS KISSEI PHARMACEUTICAL CO., LTD. (JP) 1998-07-29 EP disclosed