SCHEMBL8810087

SCHEMBL8810087

Cc1cc(N2CCN(c3ccc(-n4c(C)nn(CC(=O)c5ccc(Cl)cc5)c4=O)cn3)CC2)nc(C)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 4/20 0.39
BCHE P06276 1/20 0.39
CHRNE Q04844 1/20 0.39
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
DRD3 P35462 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
MGAM O43451 1/20 0.36
AMY1A P0DUB6 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
SCHEMBL8927579 0.90 KMT2A (0.40) KMT2APOLBRAB9ABCHECHRNE
SCHEMBL9456969 0.76 POLB (0.52) KMT2APOLBRAB9ABCHECHRNE
SCHEMBL8927049 0.75 POLB (0.47) KMT2APOLBRAB9ABCHECHRNE
SCHEMBL9457409 0.72 KMT2A (0.66) KMT2APOLBRAB9ABCHECHRNE
SCHEMBL8811666 0.71 KMT2A (0.54) KMT2APOLBRAB9ABCHECHRNE
SCHEMBL10277001 0.68 MEN1 (0.47) KMT2APOLBRAB9AMEN1NPC1
SCHEMBL8931123 0.60 DRD2 (0.50) POLBLMNADRD2DRD4HTR1A
SCHEMBL8931195 0.60 DRD2 (0.50) POLBRAB9ASMN1; SMN2LMNADRD2
SCHEMBL6353150 0.60 HTR1A (0.64) KMT2ARAB9ALMNADRD2DRD4
SCHEMBL8927401 0.60 POLB (0.45) KMT2APOLBBCHECHRNELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0770073-A1 ANTI-HELICOBACTER HETEROCYCLIC DERIVATIVES OF AZOLONES JANSSEN PHARMACEUTICA N.V. (BE) 1997-05-02 EP disclosed
US-5607932-A Heterocyclic derivatives of azolones JANSSEN PHARMACEUTICA N.V. (BE) 1997-03-04 US disclosed
WO-1996001821-A1 ANTI-HELICOBACTER HETEROCYCLIC DERIVATIVES OF AZOLONES JANSSEN PHARMACEUTICA N.V. (BE) 1996-01-25 WO disclosed