SCHEMBL6580091

SCHEMBL6580091

O=C(CO)c1cccc(NC(=O)c2ccccc2Cc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
ADRB2 P07550 1/20 0.52
BCL2 P10415 1/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
KCNK3 O14649 5/20 0.50
KCNK9 Q9NPC2 5/20 0.50
PARP1 P09874 1/20 0.50
BCAT2 O15382 1/20 0.48
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
F2R P25116 1/20 0.46
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL16266096 0.86 MEN1 (0.67) ALDH1A1ADRB2BCL2KMT2AMEN1
SCHEMBL13852928 0.86 ALDH1A1 (0.53) ALDH1A1ADRB2BCL2KMT2AMEN1
SCHEMBL8971238 0.82 ALDH1A1 (0.73) ALDH1A1ADRB2BCL2KMT2AMEN1
SCHEMBL16266121 0.81 NPC1 (0.53) ALDH1A1ADRB2BCL2KMT2AMEN1
SCHEMBL6346822 0.81 KCNK3 (0.71) KMT2AMEN1KCNK3KCNK9PARP1
SCHEMBL31610160 0.77 ALDH1A1 (0.51) ALDH1A1ADRB2BCL2KMT2AMEN1
SCHEMBL14372335 0.77 CA1 (0.60) ALDH1A1KMT2AMEN1PKMRAB9A
SCHEMBL8827735 0.76 NR1H4 (0.59) ALDH1A1KMT2AMEN1KCNK3KCNK9
SCHEMBL6577998 0.76 NR1H4 (0.65) ALDH1A1KMT2AMEN1KCNK3KCNK9
SCHEMBL6577802 0.76 NR1H4 (0.62) KMT2AMEN1KCNK3KCNK9PARP1

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