SCHEMBL5163381

SCHEMBL5163381

N#Cc1c(C#N)c(OCc2ccccc2)c(Br)c(Br)c1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 5/20 0.51
▸ SQOR Q9Y6N5 1/20 0.47
▸ AS3MT Q9HBK9 2/20 0.43
▸ NSD2 O96028 1/20 0.43
▸ THRA P10827 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ MAOA P21397 2/20 0.39
▸ GRM2 Q14416 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL4452496 0.87 MAOB (0.56) MAOBSQORAS3MTNSD2MAOA
SCHEMBL5161293 0.81 SQOR (0.39) MAOBSQORAS3MTNSD2THRA
SCHEMBL5162735 0.81 SQOR (0.39) MAOBSQORAS3MTNSD2THRA
SCHEMBL5164352 0.80 PTGER3 (0.45) MAOBTHRATHRBLMNA
SCHEMBL5164353 0.80 PTGER3 (0.45) MAOBTHRATHRBLMNA
SCHEMBL28326121 0.79 MAOB (0.51) MAOBSQORAS3MTNSD2THRA
SCHEMBL31437416 0.78 KDM1A (0.45) MAOBSQORAS3MTNSD2THRA
SCHEMBL1761232 0.75 MAOB (0.50) MAOBTHRATHRBMAOAMAPT
SCHEMBL5741190 0.74 NPC1 (0.62) MAOBSQORAS3MTGRM2MAPT
Fluoride SCHEMBL28325117 0.73 MAOB (0.56) MAOBSQORMAOAMAPTHPGD

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
EP-1758850-A1 PREPARATION AND APPLICATIONS OF POLYMER-SUPPORTED HALOGENATED BENZOQUINONES AS OXIDATIVE AGENTS COULADOUROS, Elias, Andrea (GR) 2007-03-07 — — EP disclosed
WO-2005121077-A1 PREPARATION AND APPLICATIONS OF POLYMER-SUPPORTED HALOGENATED BENZOQUINONES AS OXIDATIVE AGENTS COULADOUROS ELIAS (GR) 2005-12-22 — — WO disclosed
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