SCHEMBL6580034

SCHEMBL6580034

COc1ccc(C(=O)Nc2cccc(C(=O)CO)c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK9 Q9NPC2 2/20 0.72
NPC1 O15118 9/20 0.70
RAB9A P51151 9/20 0.70
TP53 P04637 6/20 0.70
SMN1; SMN2 Q16637 6/20 0.70
KMT2A Q03164 6/20 0.70
ALDH1A1 P00352 3/20 0.70
PKM P14618 1/20 0.70
NFKB1 P19838 1/20 0.67
NFKB2 Q00653 1/20 0.67
RELA Q04206 1/20 0.67
KCNK3 O14649 2/20 0.66
ADORA3 P0DMS8 1/20 0.64
NLRP3 Q96P20 1/20 0.62
RXFP1 Q9HBX9 2/20 0.59
MEN1 O00255 5/20 0.59
MAPK1 P28482 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
ALOX15 P16050 1/20 0.59
CYP1A2 P05177 1/20 0.58

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
SCHEMBL6582800 0.94 KCNK9 (0.64) KCNK9NPC1RAB9ATP53SMN1; SMN2
SCHEMBL6580059 0.91 NR1H4 (0.66) KCNK9NPC1RAB9ATP53SMN1; SMN2
SCHEMBL6580184 0.87 NR1H4 (0.58) KCNK9NPC1RAB9ATP53SMN1; SMN2
SCHEMBL6579950 0.87 NPC1 (0.73) NPC1RAB9ATP53SMN1; SMN2KMT2A
SCHEMBL31542000 0.86 KCNK9 (0.81) KCNK9NPC1RAB9ATP53SMN1; SMN2
SCHEMBL6580158 0.86 KMT2A (0.54) KCNK9NPC1RAB9ATP53SMN1; SMN2
SCHEMBL6580077 0.85 NR1H4 (0.70) NPC1RAB9ATP53SMN1; SMN2KMT2A
SCHEMBL6577705 0.85 NR1H4 (0.78) NPC1RAB9ATP53SMN1; SMN2KMT2A
SCHEMBL6580248 0.85 NR1H4 (0.57) KCNK9NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL23070455 0.85 KCNK9 (0.83) KCNK9NPC1RAB9ATP53SMN1; SMN2

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
EP-0716088-B1 PROCESS FOR PRODUCING 2-(TETRAZOL-5-YL)-4-OXO-4H-BENZOPYRANS SUMITOMO CHEMICAL CO (JP) 2004-02-18 EP disclosed
US-5597929-A Production process of 2-(tetrazol-5-yl)-4-oxo-4H-benzopyran SUMITOMO CHEMICAL CO., LTD. (JP) 1997-01-28 US disclosed
EP-0716088-A1 PROCESS FOR PRODUCING 2-(TETRAZOL-5-YL)-4-OXO-4H-BENZOPYRANS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-06-12 EP disclosed