SCHEMBL11501154

SCHEMBL11501154

C=CCC(=O)c1ccc(-n2cccn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50
PTPN1 P18031 2/20 0.48
NOTUM Q6P988 1/20 0.46
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.43
MGLL Q99685 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
LMNA P02545 2/20 0.41
HDAC4 P56524 1/20 0.41
DGAT1 O75907 2/20 0.40
HRH3 Q9Y5N1 3/20 0.40
KCNH2 Q12809 1/20 0.39
GPR119 Q8TDV5 1/20 0.38

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
SCHEMBL20646989 0.80 KDM4E (0.50) KDM4EALDH1A1MAPK1NOTUMTP53
SCHEMBL24254064 0.80 KDM4E (0.50) KDM4EALDH1A1MAPK1PTPN1NOTUM
Bromide SCHEMBL8310882 0.79 KDM4E (0.49) KDM4EALDH1A1MAPK1PTPN1NOTUM
SCHEMBL7412453 0.78 NR4A2 (0.51) KDM4EALDH1A1MAPK1NOTUMTP53
SCHEMBL17303476 0.77 NOTUM (0.58) KDM4EALDH1A1MAPK1PTPN1NOTUM
SCHEMBL24253972 0.77 KDM4E (0.46) KDM4EALDH1A1MAPK1NOTUMTP53
SCHEMBL16563643 0.77 MAPT (0.51) KDM4EALDH1A1MAPK1PTPN1NOTUM
SCHEMBL321724 0.76 LMNA (0.61) KDM4EALDH1A1MAPK1NOTUMTP53
SCHEMBL11501306 0.75 NPC1 (0.45) KDM4EALDH1A1MAPK1MAPTLMNA
SCHEMBL3407808 0.75 PLOD2 (0.58) KDM4EALDH1A1MAPK1NOTUMTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4239901-A ANALGESICS, ANTIPYRETICS, ANTIINFLAMMATORY AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1980-12-16 US disclosed