SCHEMBL29324429

SCHEMBL29324429

COc1cc2c(cc1OC)C(=O)N(CCCCBr)C2

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ DRD3 P35462 2/20 0.45
▸ DRD2 P14416 1/20 0.45
▸ DRD5 P21918 1/20 0.45
▸ HTR7 P34969 1/20 0.45
▸ HTR1A P08908 1/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ ABCB1 P08183 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ TMEM97 Q5BJF2 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ PDE4D Q08499 1/20 0.37

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
SCHEMBL30179164 1.00 MEN1 (0.48) MEN1KMT2ADRD3DRD2DRD5
SCHEMBL12676327 0.86 MEN1 (0.48) MEN1KMT2ADRD3DRD2DRD5
SCHEMBL10200133 0.84 MEN1 (0.50) MEN1KMT2ADRD3HTR1ADRD4
SCHEMBL29322848 0.79 KMT2A (0.51) MEN1KMT2ADRD3HTR1ADRD4
SCHEMBL13448967 0.75 DRD3 (0.80) MEN1KMT2ADRD3DRD2DRD5
SCHEMBL21250713 0.75 CHRM2 (0.51) DRD3DRD2DRD5HTR7HTR1A
SCHEMBL13448975 0.75 DRD3 (0.79) MEN1KMT2ADRD3DRD2DRD5
SCHEMBL11923833 0.74 MEN1 (0.70) MEN1KMT2AALDH1A1CYP3A4PDE4D
SCHEMBL21250682 0.74 DRD3 (0.65) DRD3DRD2DRD5HTR7HTR1A
Falipamil SCHEMBL1817019 0.74 MAPT (0.68) DRD3DRD2ABCB1CYP3A4

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
EP-4400504-A1 THIOPHENE RING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Center for Excellence in Molecular Cell Science, Chinese Academy of Sciences (CN) 2024-07-17 — — EP disclosed
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