SCHEMBL6580310

SCHEMBL6580310

O=C(O)c1nnnn1Cc1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.45
TDO2 P48775 2/20 0.45
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
PKM P14618 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.43
GRM2 Q14416 1/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC1 Q13547 4/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
RAB9A P51151 1/20 0.41
CYP19A1 P11511 1/20 0.41
HPGD P15428 2/20 0.40
IDO1 P14902 1/20 0.39
HDAC3 O15379 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL6580167 0.86 ERCC5 (0.45) HDAC6TDO2ERCC5FEN1HTT
SCHEMBL6577327 0.85 HPGD (0.54) HDAC6ERCC5FEN1PKMMEN1
SCHEMBL11271744 0.84 HPGD (0.53) HDAC6ERCC5FEN1PKMMEN1
SCHEMBL6582001 0.81 ERCC5 (0.65) ERCC5FEN1PKMHTTLMNA
SCHEMBL6581989 0.80 TGM2 (0.51) ERCC5FEN1MEN1KMT2AHTT
SCHEMBL11069413 0.74 ALDH1A1 (0.52) HDAC6ERCC5FEN1PKMMEN1
SCHEMBL2367880 0.73 CYP19A1 (0.53) TDO2PKMMEN1KMT2AHTT
SCHEMBL16550566 0.72 ALDH1A1 (0.57) HDAC6ERCC5FEN1PKMMEN1
Potassium Ion SCHEMBL11074604 0.72 ALDH1A1 (0.50) HDAC6ERCC5FEN1PKMMEN1
SCHEMBL2368548 0.72 PKM (0.44) TDO2PKMMEN1KMT2AHTT

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