SCHEMBL12426928

SCHEMBL12426928

SCc1ccc(C(SCc2ccc(C(Sc3ccc(Br)cc3)Sc3ccc(Br)cc3)cc2)SCc2ccc(C(Sc3ccc(Br)cc3)Sc3ccc(Br)cc3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 3/20 0.37
▸ MAOB P27338 3/20 0.35
▸ IDO1 P14902 2/20 0.33
▸ MAOA P21397 2/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 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
SCHEMBL12426942 1.00 EPHX1 (0.37) EPHX1MAOBIDO1MAOAMEN1
SCHEMBL2201278 0.91 MAOA (0.37) MAOBIDO1MAOAMEN1KMT2A
SCHEMBL12426955 0.85 NPC1 (0.40) EPHX1MAOBIDO1MAOAMEN1
SCHEMBL12509983 0.85 EPHX1 (0.40) EPHX1MAOBIDO1MAOAMEN1
SCHEMBL12426963 0.71 APP (0.38) —
SCHEMBL374827 0.69 — —
SCHEMBL7742856 0.67 IDO1 (0.50) IDO1
SCHEMBL13462056 0.62 IDO1 (0.41) IDO1
SCHEMBL28179988 0.59 IDO1 (0.50) EPHX1MAOBIDO1MEN1KMT2A
SCHEMBL28450896 0.59 IDO1 (0.52) IDO1

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
US-7977491-B2 reacting with ketone compound in presence of solvent FUJIFILM CORPORATION (JP) 2011-07-12 — — US disclosed
US-7977491-B2 reacting with ketone compound in presence of solvent FUJIFILM CORPORATION (JP) 2011-07-12 — — US disclosed
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