SCHEMBL2216422

SCHEMBL2216422

O=C(O)c1cc2c([nH]c3ccccc32)c(-c2ccc(O)cc2)n1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
MGAM O43451 13/20 0.58
MITF O75030 1/20 0.52
POLB P06746 1/20 0.52
RAD52 P43351 1/20 0.52

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
SCHEMBL27917533 0.92 MEN1 (0.74) MEN1KMT2AMGAM
SCHEMBL27962910 0.89 MEN1 (0.63) MEN1KMT2AMGAMMITFPOLB
SCHEMBL27917615 0.89 MEN1 (0.63) MEN1KMT2AMGAMMITFPOLB
SCHEMBL27962944 0.89 MEN1 (0.63) MEN1KMT2AMGAMMITFPOLB
SCHEMBL29817694 0.89 MEN1 (0.63) MEN1KMT2AMGAMMITFPOLB
SCHEMBL28819658 0.85 MGAM (0.65) MEN1KMT2AMGAMMITFPOLB
SCHEMBL30607045 0.85 HDAC1 (0.68) MEN1KMT2AMGAM
SCHEMBL28017777 0.85 HDAC1 (0.68) MEN1KMT2AMGAM
SCHEMBL27962879 0.85 MEN1 (0.60) MEN1KMT2AMGAMMITFPOLB
SCHEMBL28033063 0.85 MEN1 (0.63) MEN1KMT2AMGAMMITFPOLB

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
EP-1634881-B1 HARMINE DERIVATIVES, INTERMEDIATES USED IN THEIR PREPARATION, PREPARATION PROCESSES AND USE THEREOF XINJIANG HUASHIDAN PHARMACEUTICAL RES CO LTD (CN) 2011-07-27 EP claimed