SCHEMBL12426955

SCHEMBL12426955

CSCc1ccc(C(SCc2ccc(C(SCc3ccc(C(Sc4ccc(Br)cc4)Sc4ccc(Br)cc4)cc3)SCc3ccc(C(Sc4ccc(Br)cc4)Sc4ccc(Br)cc4)cc3)cc2)SCc2ccc(C(SCc3ccc(C(Sc4ccc(Br)cc4)Sc4ccc(Br)cc4)cc3)SCc3ccc(C(Sc4ccc(Br)cc4)Sc4ccc(Br)cc4)cc3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ EPHX1 P07099 3/20 0.40
▸ MAOA P21397 2/20 0.35
▸ MAOB P27338 3/20 0.35
▸ IDO1 P14902 2/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TAAR1 Q96RJ0 1/20 0.31
▸ NPSR1 Q6W5P4 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
SCHEMBL12509983 0.88 EPHX1 (0.40) EPHX1MAOAMAOBIDO1MEN1
SCHEMBL12426963 0.85 APP (0.38) —
SCHEMBL12426928 0.85 EPHX1 (0.37) EPHX1MAOAMAOBIDO1MEN1
SCHEMBL12426942 0.85 EPHX1 (0.37) EPHX1MAOAMAOBIDO1MEN1
SCHEMBL2030465 0.75 IDO1 (0.50) NPC1RAB9AEPHX1MAOBIDO1
SCHEMBL2201278 0.74 MAOA (0.37) MAOAMAOBIDO1MEN1KMT2A
SCHEMBL5209430 0.64 MAPT (0.44) NPC1RAB9AIDO1MEN1KMT2A
SCHEMBL21186074 0.64 EPHX1 (0.39) NPC1RAB9AEPHX1MAOAMEN1
SCHEMBL13652552 0.64 IDO1 (0.48) NPC1RAB9AIDO1MEN1KMT2A
SCHEMBL1145094 0.63 SLC6A4 (0.52) NPC1RAB9AMAOAMEN1KMT2A

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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