SCHEMBL4707233

SCHEMBL4707233

NC(=O)Oc1ccc(-n2cccn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50
NOTUM Q6P988 1/20 0.50
HDAC4 P56524 1/20 0.44
MAPT P10636 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MGLL Q99685 1/20 0.41
TP53 P04637 1/20 0.41
ICAM1 P05362 1/20 0.41
SELE P16581 1/20 0.41
VCAM1 P19320 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40

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
SCHEMBL27514497 0.84 ALDH1A1 (0.50) KDM4EALDH1A1MAPK1NOTUMHDAC4
SCHEMBL27694872 0.79 KMT2A (0.50) KDM4EALDH1A1MAPK1NOTUMHDAC4
SCHEMBL323044 0.78 NOTUM (0.55) KDM4EALDH1A1MAPK1NOTUMHDAC4
SCHEMBL4341894 0.76 NOTUM (0.78) KDM4EALDH1A1MAPK1NOTUMHDAC4
SCHEMBL16595887 0.75 NOTUM (0.51) KDM4EALDH1A1MAPK1NOTUMHDAC4
SCHEMBL5717609 0.74 KDM4E (0.50) KDM4EALDH1A1MAPK1NOTUMHDAC4
SCHEMBL9943543 0.74 SMN1; SMN2 (0.51) KDM4EALDH1A1MAPTKMT2AICAM1
SCHEMBL17303476 0.74 NOTUM (0.58) KDM4EALDH1A1MAPK1NOTUMHDAC4
SCHEMBL598119 0.74 NOTUM (0.58) KDM4EALDH1A1MAPK1NOTUMMAPT
SCHEMBL28714239 0.74 KDM4E (0.43) KDM4EALDH1A1MAPK1NOTUMHDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114702495-A Purinones as ubiquitin-specific protease 1 inhibitors 福马治疗有限公司 2022-07-05 CN disclosed
CN-108473495-B Purinones as ubiquitin-specific protease 1 inhibitors 福马治疗有限公司 2022-04-12 CN disclosed
EP-1879877-B1 ANTIMICROBIAL AGENTS RANBAXY LAB LTD (IN) 2013-01-02 EP disclosed
EP-1879877-A2 ANTIMICROBIAL AGENTS Ranbaxy Laboratories Limited (IN) 2008-01-23 EP disclosed
CN-101103007-A Amide compound TAKEDA PHARMACEUTICAL (JP) 2008-01-09 CN disclosed
WO-2006117762-A2 ANTIMICROBIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO disclosed