SCHEMBL5161293

SCHEMBL5161293

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SQOR Q9Y6N5 1/20 0.39
▸ MAOB P27338 4/20 0.38
▸ GAA P10253 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ THRA P10827 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ AS3MT Q9HBK9 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NSD2 O96028 1/20 0.34
▸ VEGFA P15692 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL5164352 0.84 PTGER3 (0.45) MAOBTHRATHRBKDM4ELMNA
SCHEMBL5164353 0.84 PTGER3 (0.45) MAOBTHRATHRBKDM4ELMNA
SCHEMBL5163381 0.81 MAOB (0.51) SQORMAOBGAAMAPTHPGD
SCHEMBL4452496 0.73 MAOB (0.56) SQORMAOBGAAMAPTAS3MT
SCHEMBL9279725 0.69 PTPN1 (0.36) MAOBGAAHPGDTHRATHRB
SCHEMBL28326121 0.66 MAOB (0.51) SQORMAOBGAAMAPTHPGD
SCHEMBL31437416 0.65 KDM1A (0.45) SQORMAOBGAAMAPTHPGD
SCHEMBL10953297 0.64 GSK3B (0.63) MAOBGAAMAPTTHRBRAB9A
SCHEMBL9857485 0.64 CCNB2 (0.64) GAAMAPTRAB9AKDM4ENPC1
SCHEMBL10953300 0.64 GSK3B (0.63) MAOBGAAMAPTTHRBRAB9A

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-1499623-B1 PROCESS FOR PREPARING 1,2,3,9-TETRAHYDRO-9-METHYL-3-¬(2-METHYL-1H-IMIDAZOL-1-YL)METHYL|-4H-CARBAZOL-4-ONE TEVA GYOGYSZERGYAR ZARTKOERUEE (HU) 2007-06-13 — — EP claimed
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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