SCHEMBL8534824

SCHEMBL8534824

O=C1CC/C(=N\O)C(c2cccc(Br)c2)N1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
KDM1A O60341 4/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
F2RL1 P55085 1/20 0.36
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HDAC4 P56524 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
MAP1LC3B Q9GZQ8 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL8529904 1.00 KMT2A (0.44) KMT2AKDM1APOLBKDM4EALDH1A1
SCHEMBL8535211 0.83 MDM2 (0.48) KMT2AKDM4EALDH1A1HPGDTSHR
SCHEMBL8535215 0.83 MDM2 (0.48) KMT2AKDM4EALDH1A1HPGDTSHR
SCHEMBL2188799 0.82 SMN1; SMN2 (0.44) KMT2AKDM1APOLBKDM4EALDH1A1
SCHEMBL2188794 0.82 SMN1; SMN2 (0.44) KMT2AKDM1APOLBKDM4EALDH1A1
SCHEMBL7911514 0.82 DDB1 (0.38) KMT2AKDM4EALDH1A1HPGDMEN1
SCHEMBL7911512 0.82 DDB1 (0.38) KMT2AKDM4EALDH1A1HPGDMEN1
SCHEMBL8530679 0.80 KMT2A (0.49) KMT2AKDM1APOLBKDM4EALDH1A1
SCHEMBL8530344 0.78 TP53 (0.38) KMT2AHPGDTSHRMEN1NPC1
SCHEMBL8530343 0.78 TP53 (0.38) KMT2AHPGDTSHRMEN1NPC1

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