SCHEMBL8024136

SCHEMBL8024136

O=CC(Br)c1ccc(-c2ccccc2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.44
CYP1A2 P05177 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
APAF1 O14727 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
XBP1 P17861 1/20 0.36
PTBP1 P26599 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
GALK1 P51570 1/20 0.36
BLM P54132 1/20 0.36
SMAD3 P84022 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL8546094 0.77 ESR2 (0.48) ESR2CYP1A2MEN1KMT2AAPAF1
SCHEMBL1961187 0.77 TP53 (0.47) MEN1KMT2ALMNAMAPTHTT
SCHEMBL21495096 0.77 TP53 (0.47) MEN1KMT2ALMNAMAPTHTT
SCHEMBL38142 0.76 ACP3 (0.39) MEN1KMT2ALMNAMAPTBLM
SCHEMBL22445608 0.76 ACP3 (0.39) MEN1KMT2ALMNAMAPTBLM
SCHEMBL3246785 0.76 ACP3 (0.44) CYP1A2PTGS2ACP3ALDH1A1MAPK1
SCHEMBL20551407 0.74 MDM2 (0.39) LMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL2932458 0.74 MDM2 (0.39) LMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL846656 0.74 GABRA1 (0.33) MEN1KMT2ALMNAMAPTHTT
SCHEMBL8058289 0.73 TAAR1 (0.46) ESR2ALOX5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0979079-A1 USE OF TETRAHYDROPYRIDINE DERIVATIVES TO PREPARE MEDICINES FOR TREATING DISEASES CAUSING DEMYELINATION SANOFI-SYNTHELABO (FR) 2000-02-16 EP disclosed
EP-0950053-A1 USE OF BENZOYLALKYL-1,2,3,6-TETRAHYDROPYRIDINS SANOFI (FR) 1999-10-20 EP disclosed
WO-1998048802-A1 USE OF TETRAHYDROPYRIDINE DERIVATIVES TO PREPARE MEDICINES FOR TREATING DISEASES CAUSING DEMYELINATION SANOFI-SYNTHELABO (FR) 1998-11-05 WO disclosed
WO-1998028274-A1 USE OF BENZOYLALKYL-1,2,3,6-TETRAHYDROPYRIDINS SANOFI (FR) 1998-07-02 WO disclosed