SCHEMBL6582800

SCHEMBL6582800

COc1ccc(Cc2ccc(C(=O)Nc3cccc(C(=O)CO)c3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK9 Q9NPC2 2/20 0.64
NPC1 O15118 9/20 0.62
RAB9A P51151 9/20 0.62
TP53 P04637 6/20 0.62
SMN1; SMN2 Q16637 6/20 0.62
KMT2A Q03164 6/20 0.62
ALDH1A1 P00352 3/20 0.62
PKM P14618 1/20 0.62
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
KCNK3 O14649 2/20 0.59
ADORA3 P0DMS8 1/20 0.57
NLRP3 Q96P20 1/20 0.55
RXFP1 Q9HBX9 2/20 0.53
MEN1 O00255 5/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SNCA P37840 1/20 0.53
ALOX15 P16050 1/20 0.52

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
SCHEMBL6580034 0.94 KCNK9 (0.72) KCNK9NPC1RAB9ATP53SMN1; SMN2
SCHEMBL6580059 0.90 NR1H4 (0.66) KCNK9NPC1RAB9ATP53SMN1; SMN2
SCHEMBL6580464 0.86 NR1H4 (0.58) KCNK9NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL6579969 0.84 KMT2A (0.58) KCNK9NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL6580081 0.83 NLRP3 (0.69) RAB9ATP53SMN1; SMN2KMT2AALDH1A1
SCHEMBL6580260 0.82 TRPV1 (0.56) KCNK9NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL6579950 0.81 NPC1 (0.73) NPC1RAB9ATP53SMN1; SMN2KMT2A
SCHEMBL6580184 0.81 NR1H4 (0.58) KCNK9NPC1RAB9ATP53SMN1; SMN2
SCHEMBL31542000 0.81 KCNK9 (0.81) KCNK9NPC1RAB9ATP53SMN1; SMN2
SCHEMBL6580158 0.81 KMT2A (0.54) 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