SCHEMBL9456969

SCHEMBL9456969

Cc1nn(CC(=O)c2ccc(Cl)cc2)c(=O)n1-c1ccc(N2CCN(c3ccc(O)cc3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.52
KMT2A Q03164 3/20 0.52
BCHE P06276 1/20 0.49
CHRNE Q04844 1/20 0.49
MEN1 O00255 2/20 0.49
TP53 P04637 1/20 0.48
RAB9A P51151 2/20 0.46
LMNA P02545 3/20 0.45
ME2 P23368 1/20 0.45
ME1 P48163 1/20 0.45
ME3 Q16798 1/20 0.45
CYP2C19 P33261 1/20 0.45
CCR1 P32246 1/20 0.44
BRD9 Q9H8M2 1/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SOD1 P00441 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL8927049 0.90 POLB (0.47) POLBKMT2ABCHECHRNEMEN1
SCHEMBL9457409 0.89 KMT2A (0.66) POLBKMT2ABCHECHRNEMEN1
SCHEMBL10277001 0.89 MEN1 (0.47) POLBKMT2AMEN1TP53RAB9A
SCHEMBL8811666 0.83 KMT2A (0.54) POLBKMT2ABCHECHRNEMEN1
SCHEMBL11070469 0.81 BRD9 (0.54) POLBKMT2AMEN1LMNACYP2C19
SCHEMBL9457262 0.81 POLB (0.50) POLBKMT2ABCHECHRNETP53
Water SCHEMBL9457015 0.80 POLB (0.49) POLBKMT2ABCHECHRNETP53
SCHEMBL11069372 0.78 MAPT (0.49) POLBKMT2ARAB9ALMNACYP2C19
SCHEMBL9462045 0.77 MAPT (0.45) POLBKMT2AMEN1TP53LMNA
SCHEMBL8810087 0.76 KMT2A (0.39) POLBKMT2ABCHECHRNEMEN1

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 9 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 claimed
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 claimed
JP-5194436-A None JP disclosed
EP-0571416-A1 (CARBOXYL)ALKYLOXYALKYL DERIVATIVES OF CYCLODEXTRINS JANSSEN PHARMACEUTICA N.V. (BE) 1993-12-01 EP disclosed
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
JP-H05194436-A 4-(4-(4-(4-HYDROXYPHENYL)-1-PIPERAZINYL)PHENYL)-5-METHYL-3 H-1,2-4-TRIAZOL-3-ONE DERIVATIVES JANSSEN PHARMACEUT NV 1993-08-03 JP 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
WO-1992014762-A1 (CARBOXYL)ALKYLOXYALKYL DERIVATIVES OF CYCLODEXTRINS JANSSEN PHARMACEUTICA N.V. (BE) 1992-09-03 WO disclosed
EP-0499322-A1 (Carboxyl)alkyloxyalkyl derivatives of cyclodextrins JANSSEN PHARMACEUTICA N.V. (BE) 1992-08-19 EP disclosed