SCHEMBL7634896

SCHEMBL7634896

N#CCOc1ccc(Br)cc1C=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.59
▸ HPGD P15428 5/20 0.48
▸ ERN1 O75460 1/20 0.43
▸ TSHR P16473 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ CTDSP1 Q9GZU7 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CA12 O43570 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ CCR5 P51681 2/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PLA2G1B P04054 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
SCHEMBL21639308 0.87 PTGDR2 (0.44) PTGDR2HPGDERN1TSHRPOLB
SCHEMBL30457873 0.87 PTGDR2 (0.44) PTGDR2HPGDERN1TSHRPOLB
SCHEMBL4936956 0.84 HPGD (0.67) PTGDR2HPGDERN1TSHRPOLB
SCHEMBL2422003 0.81 TSHR (0.48) PTGDR2HPGDERN1TSHRTDP1
SCHEMBL21877484 0.81 ALDH1A1 (0.47) PTGDR2HPGDALDH1A1HTTSMN1; SMN2
SCHEMBL28342817 0.81 ALDH1A1 (0.44) PTGDR2HPGDERN1TSHRL3MBTL1
SCHEMBL22636353 0.79 TP53 (0.40) PTGDR2HPGDTSHRPOLBCTDSP1
SCHEMBL8314602 0.78 KDM4E (0.51) ERN1POLBALDH1A1RAB9AKMT2A
SCHEMBL28340278 0.78 ALDH1A1 (0.38) PTGDR2HPGDALDH1A1RAB9AKMT2A
SCHEMBL155442 0.78 HPGD (0.64) PTGDR2HPGDERN1TSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110642818-B Method for preparing benzofuran-2-carboxamide compound 云南师范大学 2023-05-30 — — CN claimed
CN-110642818-A Method for preparing benzofuran-2-formamide compound 云南师范大学 2020-01-03 — — CN claimed
CN-110642818-B Method for preparing benzofuran-2-carboxamide compound 云南师范大学 2023-05-30 — — CN disclosed
CN-110642818-A Method for preparing benzofuran-2-formamide compound 云南师范大学 2020-01-03 — — CN disclosed
EP-0888327-B1 BENZOPYRAN DERIVATIVES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION MENARINI LAB (ES) 2002-06-12 — — EP disclosed
US-5990142-A ANTIINFLAMMATORY AGENTS AND ANTIALLERGENS HAVING GOOD ORAL ADSORPTION AND BIOAVAILABILITY; CARDIOTONIC AND ANTIISCHEMIC AGENTS LABORATORIOS MENARINI S.A. (ES) 1999-11-23 — — US disclosed
EP-0888327-A1 BENZOPYRAN DERIVATIVES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1999-01-07 — — EP disclosed
WO-1997034885-A1 BENZOPYRAN DERIVATIVES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1997-09-25 — — WO disclosed
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