SCHEMBL28355482

SCHEMBL28355482

O=C(O)c1ccc(C(=O)N2CCCCC2)cc1Br

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 14/20 0.66
TSHR P16473 2/20 0.66
L3MBTL1 Q9Y468 2/20 0.60
MBTD1 Q05BQ5 1/20 0.60
L3MBTL3 Q96JM7 1/20 0.60
ALDH1A1 P00352 4/20 0.58
RECQL P46063 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
GRIA3 P42263 1/20 0.49
GRIA4 P48058 1/20 0.49

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
SCHEMBL5103701 0.86 L3MBTL3 (0.62) HPGDTSHRL3MBTL1MBTD1L3MBTL3
SCHEMBL28352248 0.82 HPGD (0.63) HPGDTSHRL3MBTL1MBTD1L3MBTL3
SCHEMBL28355798 0.81 HPGD (0.69) HPGDTSHRL3MBTL1L3MBTL3ALDH1A1
SCHEMBL6554857 0.79 HPGD (0.71) HPGDTSHRL3MBTL1L3MBTL3ALDH1A1
SCHEMBL20516444 0.79 HPGD (0.71) HPGDTSHRL3MBTL1MBTD1L3MBTL3
SCHEMBL2376496 0.76 HPGD (0.77) HPGDTSHRALDH1A1RECQLCYP1A2
SCHEMBL2378485 0.76 HPGD (0.77) HPGDTSHRALDH1A1RECQLCYP1A2
SCHEMBL31533277 0.76 HPGD (0.63) HPGDTSHRALDH1A1RECQLCYP1A2
SCHEMBL971662 0.76 HPGD (0.63) HPGDTSHRALDH1A1RECQLCYP1A2
SCHEMBL1353095 0.76 HPGD (0.63) HPGDTSHRALDH1A1RECQLCYP1A2

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
CN-110759889-B 2-aryl amido substituted thiophene imide ester compound and preparation method and application thereof 中国医学科学院药物研究所 2022-05-20 CN disclosed
CN-110759889-A 2-aryl amido substituted thiophene imide ester compound and preparation method and application thereof 中国医学科学院药物研究所 2020-02-07 CN disclosed