SCHEMBL4715645

SCHEMBL4715645

O=C(O)OC1Nc2cc(Cl)cc(Cl)c2C2c3cccc(Br)c3OC12

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GAPDH P04406 1/20 0.33
▸ HSPA1A P0DMV8 1/20 0.33
▸ HSPA8 P11142 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL4713720 0.92 GAPDH (0.35) GAPDHHSPA1AHSPA8MEN1CYP1A2
SCHEMBL4712066 0.88 CYP3A4 (0.35) GAPDHHSPA1AHSPA8MEN1CYP1A2
SCHEMBL4715612 0.88 GAPDH (0.33) GAPDHHSPA1AHSPA8MEN1CYP1A2
SCHEMBL4714145 0.88 GAPDH (0.33) GAPDHHSPA1AHSPA8MEN1CYP1A2
SCHEMBL4712218 0.87 GAPDH (0.33) GAPDHHSPA1AHSPA8MEN1CYP1A2
SCHEMBL4713164 0.86 GAPDH (0.32) GAPDHHSPA1AHSPA8
SCHEMBL4712093 0.85 GAPDH (0.44) GAPDHHSPA1AHSPA8MEN1CYP1A2
SCHEMBL4712096 0.83 MEN1 (0.36) GAPDHHSPA1AHSPA8MEN1CYP1A2
SCHEMBL4712071 0.81 GAPDH (0.34) GAPDHHSPA1AHSPA8MEN1CYP1A2
SCHEMBL6823271 0.78 GAPDH (0.35) GAPDHHSPA1AHSPA8MEN1CYP1A2

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-1412361-B1 SUBSTITUTED 5,6,6A,11B-TETRAHYDRO-7-OXA-5-AZA-BENZO[C]FLUORENE-6-CARBOXYLIC ACID DERIVATIVES SERVING AS NMDA ANTAGONISTS GRUENENTHAL GMBH (DE) 2008-07-23 — — EP claimed
EP-1412361-B1 SUBSTITUTED 5,6,6A,11B-TETRAHYDRO-7-OXA-5-AZA-BENZO[C]FLUORENE-6-CARBOXYLIC ACID DERIVATIVES SERVING AS NMDA ANTAGONISTS GRUENENTHAL GMBH (DE) 2008-07-23 — — EP disclosed
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