SCHEMBL15068100

SCHEMBL15068100

O=C(c1ccc(OC2CCCCO2)cc1)c1ncc(Br)cn1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PDE10A Q9Y233 2/20 0.36
DHFR P00374 1/20 0.36
TNK2 Q07912 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 3/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
KDM4C Q9H3R0 1/20 0.34
MAPT P10636 1/20 0.34
LSS P48449 1/20 0.34
PDE4B Q07343 1/20 0.34
HSD11B1 P28845 1/20 0.34

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
SCHEMBL15067065 0.89 MEN1 (0.46) MEN1KMT2APDE10ADHFRTNK2
SCHEMBL1186911 0.83 MEN1 (0.52) MEN1KMT2ATNK2SMN1; SMN2NPC1
SCHEMBL3109276 0.81 TNK2 (0.46) MEN1KMT2ADHFRTNK2SMN1; SMN2
SCHEMBL15067841 0.81 MEN1 (0.46) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL15088718 0.81 MEN1 (0.39) MEN1KMT2ADHFRTNK2SMN1; SMN2
SCHEMBL15088638 0.79 KMT2A (0.45) MEN1KMT2APDE10ADHFRTNK2
SCHEMBL15067050 0.79 MEN1 (0.45) MEN1KMT2ADHFRTNK2SMN1; SMN2
SCHEMBL11767308 0.78 ELANE (0.52) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL21780925 0.77 MEN1 (0.47) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL15067474 0.77 MEN1 (0.47) MEN1KMT2ATNK2SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9309211-B2 Arylalkene derivatives and use thereof as selective estrogen receptor modulators CENTAURUS BIOPHARMA CO., LTD. (CN) 2016-04-12 US disclosed
US-9309211-B2 Arylalkene derivatives and use thereof as selective estrogen receptor modulators CENTAURUS BIOPHARMA CO., LTD. (CN) 2016-04-12 US disclosed
US-9309211-B2 Arylalkene derivatives and use thereof as selective estrogen receptor modulators CENTAURUS BIOPHARMA CO., LTD. (CN) 2016-04-12 US disclosed
EP-2797889-A1 NOVEL ARYLALKENE DERIVATIVES AND USE THEREOF AS SELECTIVE ESTROGEN RECEPTOR MODULATORS Centaurus Biopharma Co., Ltd. (CN) 2014-11-05 EP disclosed
WO-2013097773-A1 NOVEL ARYLALKENE DERIVATIVES AND USE THEREOF AS SELECTIVE ESTROGEN RECEPTOR MODULATORS CENTAURUS BIOPHARMA CO., LTD. (CN) 2013-07-04 WO disclosed
WO-2013097773-A1 NOVEL ARYLALKENE DERIVATIVES AND USE THEREOF AS SELECTIVE ESTROGEN RECEPTOR MODULATORS CENTAURUS BIOPHARMA CO., LTD. (CN) 2013-07-04 WO disclosed