SCHEMBL9613686

SCHEMBL9613686

N=C(N)c1ccc(C(=O)N2CCN(C(=O)c3cccc(NC4CCN(C(=N)N)CC4)c3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.47
EPHX1 P07099 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
F10 P00742 6/20 0.44
PRSS1 P07477 6/20 0.44
PRSS2 P07478 3/20 0.44
PRSS3 P35030 3/20 0.44
ST14 Q9Y5Y6 2/20 0.44
HPN P05981 1/20 0.44
HGFAC Q04756 1/20 0.44
F2 P00734 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
MGLL Q99685 1/20 0.43
PLG P00747 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42

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
SCHEMBL9613683 0.79 KDM1A (0.44) KDM1AITGB3ITGA2BF10PRSS1
SCHEMBL9613680 0.79 KMT2A (0.55) F10PRSS1PRSS2PRSS3ST14
SCHEMBL641306 0.76 CCNC (0.57) EPHX1KDM4EALDH1A1
SCHEMBL7288482 0.76 EPHX1 (0.69) EPHX1ALDH1A1
SCHEMBL7071501 0.75 CA12 (0.67) LMNAITGB3ITGA2BF10PRSS1
SCHEMBL7297189 0.75 EPHX1 (0.57) EPHX1KDM4EMGLL
SCHEMBL9613681 0.74 KDM1A (0.68) KDM1AKDM4ELMNAITGB3ITGA2B
SCHEMBL25909077 0.74 EPHX2 (0.53) MGLL
SCHEMBL9613675 0.74 F10 (0.63) KDM4ELMNAF10ALDH1A1
Bromide SCHEMBL11386071 0.71 BLM (0.60) KDM4ELMNAALDH1A1CA12CA1

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