SCHEMBL9457409

SCHEMBL9457409

COc1ccc(N2CCN(c3ccc(-n4c(C)nn(CC(=O)c5ccc(Cl)cc5)c4=O)cc3)CC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.66
MEN1 O00255 3/20 0.66
SOD1 P00441 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.53
BCHE P06276 2/20 0.50
CHRNE Q04844 2/20 0.50
POLB P06746 2/20 0.49
RAB9A P51151 1/20 0.47
MAPT P10636 4/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CCR1 P32246 1/20 0.46
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
TP53 P04637 1/20 0.45

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
SCHEMBL8811666 0.91 KMT2A (0.54) KMT2AMEN1SOD1L3MBTL1BCHE
SCHEMBL9456969 0.89 POLB (0.52) KMT2AMEN1SOD1BCHECHRNE
SCHEMBL8927049 0.83 POLB (0.47) KMT2AMEN1BCHECHRNEPOLB
SCHEMBL11075143 0.81 L3MBTL1 (0.65) KMT2AMEN1L3MBTL1BCHECHRNE
SCHEMBL11072138 0.78 L3MBTL1 (0.61) KMT2AMEN1L3MBTL1BCHECHRNE
SCHEMBL10277001 0.78 MEN1 (0.47) KMT2AMEN1SOD1POLBRAB9A
SCHEMBL8927579 0.76 KMT2A (0.40) KMT2AMEN1SOD1L3MBTL1BCHE
SCHEMBL11073079 0.75 BRD9 (0.56) KMT2AL3MBTL1RAB9AMAPTALDH1A1
SCHEMBL9457262 0.72 POLB (0.50) KMT2AL3MBTL1BCHECHRNEPOLB
SCHEMBL8810087 0.72 KMT2A (0.39) KMT2AMEN1L3MBTL1BCHECHRNE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5254553-A 4-[4- [4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-5-methyl-3H-1,2,4-triazol-3-one derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1993-10-19 US disclosed
EP-0532091-A1 4-(4-(4-(4-hydroxyphenyl)-1-piperazinyl)-phenyl)-5-methyl-3H-1,2,4-triazol-3-one derivatives as 5-lipoxygenase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-17 EP disclosed