SCHEMBL12509983

SCHEMBL12509983

Cc1ccc(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 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ MGAM O43451 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ SI P14410 1/20 0.35
▸ MGAM2 Q2M2H8 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 2/20 0.35
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ ERBB2 P04626 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ AGTR1 P30556 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL12426955 0.88 NPC1 (0.40) EPHX1MAOAMAOBMEN1KMT2A
SCHEMBL12426942 0.85 EPHX1 (0.37) EPHX1MAOAMAOBMEN1KMT2A
SCHEMBL12426928 0.85 EPHX1 (0.37) EPHX1MAOAMAOBMEN1KMT2A
SCHEMBL2201278 0.74 MAOA (0.37) ALDH1A1MAOAMAOBMEN1KMT2A
SCHEMBL12426963 0.73 APP (0.38) —
SCHEMBL28533904 0.72 MAOB (0.61) ALDH1A1MGAMGAASIMGAM2
SCHEMBL18235720 0.68 MAPK1 (0.47) ALDH1A1MAOAMAOBACHEMEN1
SCHEMBL31146803 0.66 ALDH1A1 (0.48) ALDH1A1MGAMGAASIMGAM2
SCHEMBL20319209 0.65 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AEGFRERBB2
SCHEMBL28541578 0.65 ALDH1A1 (0.46) ALDH1A1MGAMGAASIMGAM2

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