SCHEMBL4713072

SCHEMBL4713072

N#Cc1ccc2c(c1)C1c3c(Cl)cc(Cl)cc3NC(OC(=O)O)C1O2

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 9/20 0.36
▸ PTGS2 P35354 1/20 0.32
▸ GAPDH P04406 1/20 0.32
▸ HSPA1A P0DMV8 1/20 0.32
▸ HSPA8 P11142 1/20 0.32
▸ HCRTR2 O43614 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
SCHEMBL4712913 0.85 GAPDH (0.34) GAPDHHSPA1AHSPA8
SCHEMBL4711422 0.85 GAPDH (0.43) ABCC9PTGS2GAPDHHSPA1AHSPA8
SCHEMBL4714356 0.85 GAPDH (0.34) GAPDHHSPA1AHSPA8
SCHEMBL4712071 0.85 GAPDH (0.34) GAPDHHSPA1AHSPA8
SCHEMBL4712096 0.84 MEN1 (0.36) GAPDHHSPA1AHSPA8
SCHEMBL4712642 0.83 BRAF (0.34) PTGS2GAPDHHSPA1AHSPA8HCRTR2
SCHEMBL6823827 0.80 GAPDH (0.34) GAPDHHSPA1AHSPA8
SCHEMBL4713720 0.78 GAPDH (0.35) GAPDHHSPA1AHSPA8
SCHEMBL4714145 0.74 GAPDH (0.33) GAPDHHSPA1AHSPA8
SCHEMBL4715612 0.74 GAPDH (0.33) GAPDHHSPA1AHSPA8

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-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
Send feedback