Sugi Predict

Sugi Predict / Compounds / SCHEMBL20072800

SCHEMBL20072800

SCHEMBL20072800

c1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6cccc(-c7ccc(C8(c9ccccc9)c9cc(-c%10ccccc%10)ccc9-c9c(N(c%10ccc(-c%11ccccc%11)cc%10)c%10ccc(-c%11cccc%12c%11oc%11ccccc%11%12)cc%10)cccc98)cc7)c6)cc5)c3-4)c3ccccc3-c3ccccc3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.36
▸ GGPS1 O95749 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
SCHEMBL22237811 0.98 ALOX5 (0.36) ALOX5GGPS1
SCHEMBL16858270 0.95 ALOX5 (0.39) ALOX5GGPS1
SCHEMBL26005684 0.94 ALOX5 (0.34) ALOX5
SCHEMBL24974857 0.93 ALOX5 (0.39) ALOX5GGPS1
SCHEMBL17854311 0.93 ALOX5 (0.39) ALOX5GGPS1
SCHEMBL17854253 0.92 ALOX5 (0.39) ALOX5GGPS1
SCHEMBL15551283 0.92 ALOX5 (0.42) ALOX5GGPS1
SCHEMBL21287910 0.92 ALOX5 (0.40) ALOX5GGPS1
SCHEMBL16996188 0.92 ALOX5 (0.40) ALOX5GGPS1
SCHEMBL18212027 0.92 ALOX5 (0.40) ALOX5GGPS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3752512-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2023-03-01 — — EP disclosed
EP-3658564-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2021-05-19 — — EP disclosed
EP-3507294-B1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-02-24 — — EP disclosed
EP-3526228-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-11-25 — — EP disclosed
WO-2019020538-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-01-31 — — WO disclosed
WO-2018069273-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2018-04-19 — — WO disclosed
WO-2018069197-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2018-04-19 — — WO disclosed