SCHEMBL2248519

SCHEMBL2248519

C=CCn1cc(C#N)c(=O)[nH]c1=O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 5/20 0.46
GAA P10253 5/20 0.46
HPGD P15428 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GLA P06280 1/20 0.46
RCE1 Q9Y256 1/20 0.46
ALOX12 P18054 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 1/20 0.43
TDP1 Q9NUW8 2/20 0.39
XDH P47989 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
DPYD Q12882 1/20 0.36

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
SCHEMBL12410887 0.81 ALDH1A1 (0.35) KMT2AKDM4EALDH1A1GAAHPGD
SCHEMBL11708542 0.77 KMT2A (0.68) KMT2AKDM4EGAASMN1; SMN2L3MBTL1
SCHEMBL3571705 0.76 KMT2A (0.51) KMT2AKDM4EALDH1A1GAAHPGD
SCHEMBL4564516 0.75 GRIA1 (0.49) KMT2AALDH1A1GAAMEN1TDP1
SCHEMBL148953 0.75 CYP3A4 (0.37) KMT2AKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL17791229 0.75 CYP1A2 (0.49) KMT2AKDM4ESMN1; SMN2CYP1A2CYP3A4
SCHEMBL9021896 0.75 TK1 (0.56) HPGD
SCHEMBL3562882 0.74 KMT2A (0.49) KMT2AGAASMN1; SMN2L3MBTL1MEN1
SCHEMBL12410891 0.73 TK1 (0.41) KMT2AKDM4EALDH1A1GAAMEN1
SCHEMBL17243367 0.73 KMT2A (0.36) KMT2AALDH1A1MEN1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191488-A1 Method for the treatment of a ubiquitin conjugating disorder BANERJEE AMIT 2007-08-16 US claimed
EP-1778011-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF UBIQUITIN CONJUGATING DISORDERS Hygeia Biological Systems (US) 2007-05-02 EP claimed
WO-2006020681-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF UBIQUITIN CONJUGATING DISORDERS HYGEIA BIOLOGICAL SYSTEMS (US) 2006-02-23 WO claimed
US-20060035890-A1 Compounds and methods for the treatment of ubiquitin conjugating disorders AMIT BANERJEE 2006-02-16 US claimed
CN-108341960-B Dynamic polymer containing combined dynamic covalent bonds and application thereof 厦门天策材料科技有限公司 2023-08-25 CN disclosed
US-8003572-B2 Method for the treatment of a ubiquitin conjugating disorder Banerjee, Amit (US) 2011-08-23 US disclosed
US-20070191488-A1 Method for the treatment of a ubiquitin conjugating disorder BANERJEE AMIT 2007-08-16 US disclosed
EP-1778011-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF UBIQUITIN CONJUGATING DISORDERS Hygeia Biological Systems (US) 2007-05-02 EP disclosed
WO-2006020681-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF UBIQUITIN CONJUGATING DISORDERS HYGEIA BIOLOGICAL SYSTEMS (US) 2006-02-23 WO disclosed
US-20060035890-A1 Compounds and methods for the treatment of ubiquitin conjugating disorders AMIT BANERJEE 2006-02-16 US disclosed