SCHEMBL8440636

SCHEMBL8440636

Cc1cc2cccc(B(O)O)c2o1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 5/20 0.46
▸ KDM4E B2RXH2 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MAOB P27338 4/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ MRGPRX1 Q96LB2 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HTR1A P08908 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ RECQL P46063 1/20 0.33

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
SCHEMBL5003621 0.78 MAOA (0.59) MAOAKDM4EMAOBADORA3ADORA1
SCHEMBL4428324 0.75 MAOB (0.58) MAOAMAOBALDH1A1ADORA3ADORA1
SCHEMBL25300447 0.75 LMNA (0.45) MAOAKDM4EHSD17B10TDP1ALDH1A1
SCHEMBL29503553 0.75 LMNA (0.45) MAOAKDM4EHSD17B10TDP1ALDH1A1
SCHEMBL2304841 0.72 CA12 (0.49) MAOAKDM4EHSD17B10MAOBCRBN
SCHEMBL1800952 0.72 MAOB (0.49) MAOAKDM4EHSD17B10MAOBCRBN
SCHEMBL13799426 0.72 MAOA (0.44) MAOAKDM4EHSD17B10MAOBALDH1A1
SCHEMBL2253369 0.72 NPC1 (0.55) MAOAKDM4EHSD17B10TDP1MAOB
SCHEMBL12452452 0.72 CHRM2 (0.46) MAOAKDM4EHSD17B10MAOBCRBN
SCHEMBL8082599 0.72 CHRM2 (0.46) MAOAKDM4ETDP1MAOBCRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5968985-A INHIBITORS OF SODIUM ION/HYDROGEN ION EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 — — US disclosed
EP-0773927-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 — — EP disclosed
WO-1996004241-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 — — WO disclosed
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