SCHEMBL10525020

SCHEMBL10525020

CC(=O)c1ccccc1Nc1ccccc1C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 4/20 0.73
▸ AKR1C2 P52895 3/20 0.73
▸ AKR1B10 O60218 2/20 0.70
▸ AKR1B1 P15121 2/20 0.70
▸ AKR1C1 Q04828 2/20 0.70
▸ AKR1C4 P17516 1/20 0.70
▸ FABP4 P15090 7/20 0.67
▸ MEN1 O00255 2/20 0.64
▸ LMNA P02545 2/20 0.64
▸ CYP1A2 P05177 2/20 0.64
▸ CYP3A4 P08684 2/20 0.64
▸ CYP2C9 P11712 2/20 0.64
▸ PTGS2 P35354 2/20 0.64
▸ KMT2A Q03164 2/20 0.64
▸ HIF1A Q16665 2/20 0.64
▸ TRPA1 O75762 1/20 0.64
▸ ABCB11 O95342 1/20 0.64
▸ DHFR P00374 1/20 0.64
▸ MPO P05164 1/20 0.64
▸ CHRM1 P11229 1/20 0.64

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
SCHEMBL25449209 0.92 AKR1C3 (0.66) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C1
SCHEMBL30320327 0.89 FABP4 (0.80) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C1
SCHEMBL355549 0.89 FABP4 (0.80) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C1
SCHEMBL9691899 0.87 FABP4 (0.77) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C1
SCHEMBL6142375 0.87 FABP4 (0.84) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C1
SCHEMBL16127718 0.85 CA12 (0.60) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C1
SCHEMBL848485 0.84 MAPT (0.68) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C1
SCHEMBL30567367 0.84 MAPT (0.68) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C1
SCHEMBL10935816 0.82 AKR1C3 (0.57) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C1
SCHEMBL1186480 0.82 AKR1C3 (0.77) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0098098-B1 ACRIDINECARBOXAMIDE COMPOUNDS DEVELOPMENT FINANCE CORPORATION OF NEW ZEALAND (NZ) 1989-02-08 — — EP disclosed
US-4590277-A BACTERICIDES, ANTITUMOR AGENTS DEVELOPMENT FINANCE CORPORATION OF NEW ZEALAND (NZ) 1986-05-20 — — US disclosed
EP-0098098-A2 Acridinecarboxamide compounds DEVELOPMENT FINANCE CORPORATION OF NEW ZEALAND (NZ) 1984-01-11 — — EP disclosed
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