SCHEMBL29385290

SCHEMBL29385290

COc1cc2c(NC3CCOCC3)nc(N3CCCCC3)nc2cc1OCCCN1CCCC1

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 20/20 0.79
CHD1 O14646 2/20 0.79
ADRA1D P25100 1/20 0.69
EZH2 Q15910 1/20 0.69
EHMT1 Q9H9B1 1/20 0.69
HRH3 Q9Y5N1 1/20 0.69

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
SCHEMBL25204677 1.00 EHMT2 (0.79) EHMT2CHD1ADRA1DEZH2EHMT1
SCHEMBL25231361 0.99 EHMT2 (0.81) EHMT2CHD1ADRA1DEZH2EHMT1
SCHEMBL29384861 0.99 EHMT2 (0.81) EHMT2CHD1ADRA1DEZH2EHMT1
SCHEMBL25239670 0.98 EHMT2 (0.80) EHMT2CHD1ADRA1DEZH2EHMT1
SCHEMBL29382526 0.97 EHMT2 (0.85) EHMT2CHD1ADRA1DEZH2EHMT1
SCHEMBL25201967 0.97 EHMT2 (0.85) EHMT2CHD1ADRA1DEZH2EHMT1
SCHEMBL29382797 0.95 EHMT2 (0.83) EHMT2CHD1EHMT1
SCHEMBL25229558 0.95 EHMT2 (0.83) EHMT2CHD1EHMT1
SCHEMBL25235013 0.94 EHMT2 (0.88) EHMT2CHD1EHMT1
SCHEMBL29382706 0.94 EHMT2 (0.88) EHMT2CHD1EHMT1

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-4192826-A1 SMALL MOLECULES FOR THE TREATMENT OF AUTOIMMUNE DISEASES AND CANCER Athos Therapeutics, Inc. (US) 2023-06-14 EP disclosed
WO-2022031939-A1 SMALL MOLECULES FOR THE TREATMENT OF AUTOIMMUNE DISEASES AND CANCER ATHOS THERAPEUTICS, INC. (US) 2022-02-10 WO disclosed