SCHEMBL7270834

SCHEMBL7270834

O=C(CCCO)c1c[nH]cn1.O=C(CCCOC1CCCCO1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4C Q9H3R0 1/20 0.33
P2RX3 P56373 2/20 0.31
ALDH1A1 P00352 4/20 0.31
TGFBR1 P36897 1/20 0.31
RECQL P46063 1/20 0.31
RAB9A P51151 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
CYP2J2 P51589 1/20 0.30

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
SCHEMBL1737429 0.89 MEN1 (0.47) MEN1KMT2AKDM4CP2RX3ALDH1A1
SCHEMBL7262693 0.85 SIRT2 (0.32) CYP2J2
SCHEMBL1738035 0.74 MEN1 (0.37) MEN1KMT2AKDM4CRECQLADORA3
SCHEMBL4581722 0.71 MEN1 (0.45) MEN1KMT2AKDM4CTGFBR1RAB9A
SCHEMBL1735234 0.70 CYP11B1 (0.37)
SCHEMBL5872843 0.66 MEN1 (0.50) MEN1KMT2AKDM4CP2RX3RAB9A
SCHEMBL14177811 0.65 MEN1 (0.47) MEN1KMT2AKDM4CP2RX3TGFBR1
SCHEMBL8865971 0.64 KCNH2 (0.42) MEN1KMT2AALDH1A1RAB9A
SCHEMBL13670733 0.64 MEN1 (0.59) MEN1KMT2ARAB9A
SCHEMBL4450050 0.63 MEN1 (0.61) MEN1KMT2ARAB9A

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
EP-1334106-A2 NOVEL IMIDAZOLE DERIVATIVES, PRODUCTION METHOD THEREOF AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-08-13 EP disclosed
WO-2002040484-A2 NOVEL IMIDAZOLE DERIVATIVES, PRODUCTION METHOD THEREOF AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-05-23 WO disclosed