SCHEMBL17530197

SCHEMBL17530197

O=C(NCc1cccc(-c2ccco2)c1)C(=O)Nc1c(Cl)cccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 2/20 0.50
▸ PRMT6 Q96LA8 1/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ KEAP1 Q14145 1/20 0.43
▸ LCLAT1 Q6UWP7 3/20 0.41
▸ PLA2G1B P04054 1/20 0.41
▸ ATG4B Q9Y4P1 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA2B P29275 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ MITF O75030 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ PTPN1 P18031 1/20 0.38

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
SCHEMBL20814652 0.85 SERPINE1 (0.54) SERPINE1PRMT6KMT2AMEN1POLB
SCHEMBL1016073 0.83 SERPINE1 (0.72) SERPINE1PRMT6KMT2AMEN1POLB
SCHEMBL17530198 0.77 SERPINE1 (0.47) SERPINE1PRMT6KMT2AMEN1POLB
SCHEMBL1015063 0.75 SERPINE1 (0.58) SERPINE1PRMT6KMT2AMEN1POLB
SCHEMBL1015171 0.71 SERPINE1 (0.75) SERPINE1PRMT6POLBPLA2G1BATG4B
SCHEMBL10242930 0.69 PRMT6 (0.60) PRMT6KMT2AMEN1POLBKEAP1
SCHEMBL1318017 0.68 WDR5 (0.53) PRMT6POLBALDH1A1HPGDNPC1
SCHEMBL10243163 0.68 PRMT6 (0.59) PRMT6KMT2AMEN1POLBKEAP1
SCHEMBL1016234 0.67 PRMT6 (0.58) PRMT6KMT2AMEN1POLBKEAP1
SCHEMBL1317763 0.67 TDP1 (0.59) PRMT6KMT2AMEN1POLBKEAP1

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-2990057-A1 NOVEL USE FOR PAI-1 INHIBITOR Renascience Co., Ltd. (JP) 2016-03-02 — — EP disclosed
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