SCHEMBL9613680

SCHEMBL9613680

N=C(N)c1ccc(C(=O)N2CCN(C(=O)c3cccc(OC4CCN(C(=N)N)CC4)c3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
F10 P00742 6/20 0.51
PRSS1 P07477 4/20 0.50
PRSS2 P07478 2/20 0.50
PRSS3 P35030 2/20 0.50
GAA P10253 1/20 0.50
OPRK1 P41145 2/20 0.49
PARP10 Q53GL7 2/20 0.47
F2 P00734 1/20 0.47
ST14 Q9Y5Y6 1/20 0.47
PARP14 Q460N5 1/20 0.47
HRH1 P35367 2/20 0.47
CCR3 P51677 2/20 0.47

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
SCHEMBL9613686 0.79 KDM1A (0.47) F10PRSS1PRSS2PRSS3F2
SCHEMBL9613683 0.78 KDM1A (0.44) F10PRSS1PRSS2PRSS3OPRK1
SCHEMBL12188599 0.77 OPRK1 (0.53) KMT2AMEN1OPRK1PARP10PARP14
SCHEMBL7071501 0.77 CA12 (0.67) F10PRSS1PRSS2PRSS3F2
SCHEMBL11937397 0.77 F10 (0.64) F10PRSS1PRSS2PRSS3OPRK1
SCHEMBL12188618 0.76 OPRK1 (0.58) KMT2AMEN1GAAOPRK1PARP10
SCHEMBL12099943 0.75 OPRK1 (0.60) KMT2AMEN1GAAOPRK1PARP10
SCHEMBL14597201 0.75 ACHE (0.61) KMT2AMEN1
SCHEMBL13846190 0.75 KMT2A (0.57) KMT2AMEN1GAAOPRK1PARP10
SCHEMBL8357204 0.74 EPHX2 (0.61) KMT2AMEN1GAAOPRK1HRH1

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
WO-2012071469-A2 HISTONE DEMETHYLASE INHIBITORS AND USES THEREOF FOR TREATMENT O F CANCER NEVADA CANCER INSTITUTE (US) 2012-05-31 WO disclosed