SCHEMBL8530344

SCHEMBL8530344

Cc1ccc(C2NC(=O)CCC2=NO)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
ABCC9 O60706 3/20 0.35
KCNJ11 Q14654 3/20 0.35
ABCC8 Q09428 1/20 0.35
KCNJ8 Q15842 1/20 0.35
HPGD P15428 3/20 0.34
TSHR P16473 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
ALKBH5 Q6P6C2 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
MTOR P42345 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL8530343 1.00 TP53 (0.38) TP53ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL8531687 0.81 TP53 (0.41) TP53ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL2188799 0.80 SMN1; SMN2 (0.44) HPGDMEN1KMT2ANPC1RAB9A
SCHEMBL2188794 0.80 SMN1; SMN2 (0.44) HPGDMEN1KMT2ANPC1RAB9A
SCHEMBL8529904 0.78 KMT2A (0.44) HPGDTSHRMEN1KMT2AL3MBTL1
SCHEMBL8534824 0.78 KMT2A (0.44) HPGDTSHRMEN1KMT2AL3MBTL1
SCHEMBL6099657 0.74 TP53 (0.40) TP53HPGDTSHRMEN1KMT2A
SCHEMBL6099660 0.74 TP53 (0.40) TP53HPGDTSHRMEN1KMT2A
SCHEMBL8530171 0.73 DDB1 (0.44) TP53HPGDRAB9ASMN1; SMN2
SCHEMBL7911514 0.73 DDB1 (0.38) HPGDMEN1KMT2AL3MBTL1NPC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5843966-A Piperidine derivatives GLAXO GROUP LIMITED (GB) 1998-12-01 US disclosed
EP-0720609-B1 3-(5-TETRAZOLYL-BENZYL)AMINO-PIPERIDINE DERIVATIVES AND ANTAGONISTS OF TACHYKININS GLAXO GROUP LTD (GB) 1998-11-11 EP disclosed
US-5703240-A ANALGESICS; ANTIINFLAMMATORY AGENTS; NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS; GASTROINTESTINAL DISORDERS GLAXO GROUP LIMITED (GB) 1997-12-30 US disclosed
EP-0720609-A1 3-(5-TETRAZOLYL-BENZYL)AMINO-PIPERIDINE DERIVATIVES AND ANTAGONISTS OF TACHYKININS GLAXO GROUP LIMITED (GB) 1996-07-10 EP disclosed
WO-1995008549-A1 3-(5-TETRAZOLYL-BENZYL)AMINO-PIPERIDINE DERIVATIVES AND ANTAGONISTS OF TACHYKININS GLAXO GROUP LIMITED (GB) 1995-03-30 WO disclosed