SCHEMBL21782801

SCHEMBL21782801

C1=CC=C(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)CC=C1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.36
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL19391242 0.85 SIGMAR1 (0.32) SIGMAR1
SCHEMBL18872362 0.82 SIGMAR1 (0.34) SIGMAR1
SCHEMBL10029773 0.82 SIGMAR1 (0.34) SIGMAR1
SCHEMBL20083365 0.82 KDM1A (0.34) SIGMAR1L3MBTL1
SCHEMBL27339221 0.81 SIGMAR1 (0.33) SIGMAR1
SCHEMBL6123830 0.81 SIGMAR1 (0.46) SIGMAR1L3MBTL1
SCHEMBL15807471 0.81 SIGMAR1 (0.46) SIGMAR1L3MBTL1
SCHEMBL23047 0.81 SIGMAR1 (0.46) SIGMAR1L3MBTL1
SCHEMBL13854486 0.81 SIGMAR1 (0.46) SIGMAR1L3MBTL1
SCHEMBL75887 0.81 SIGMAR1 (0.46) SIGMAR1L3MBTL1

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-3617216-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2020-03-04 EP disclosed