SCHEMBL9764907

SCHEMBL9764907

CC(=O)N(O)C(c1csc2ccccc12)c1csc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.61
PKM P14618 1/20 0.46
MAPT P10636 4/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
CMA1 P23946 1/20 0.40
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 1/20 0.39
CYP2A6 P11509 2/20 0.39
HSD17B2 P37059 1/20 0.38

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
SCHEMBL5691758 0.86 ALOX5 (0.76) ALOX5PKMMAPTHDAC3HDAC4
SCHEMBL9764884 0.84 ALOX5 (0.57) ALOX5PKMMAPTHDAC3HDAC4
SCHEMBL9764863 0.80 ALOX5 (0.53) ALOX5PKMHDAC3HDAC4HDAC1
SCHEMBL5689869 0.76 ALOX5 (1.00) ALOX5GAALMNAMC4RMC5R
SCHEMBL13083671 0.76 ALOX5 (0.54) ALOX5PKMMAPTHDAC3HDAC4
SCHEMBL890208 0.75 ALOX5 (0.54) ALOX5PKMMAPTHDAC3HDAC4
SCHEMBL10069422 0.74 ALOX5 (0.56) ALOX5PKMMAPTHDAC3HDAC4
SCHEMBL7003003 0.72 ALOX5 (0.57) ALOX5PKMMAPTHDAC3HDAC4
SCHEMBL29013450 0.72 ALOX5 (0.57) ALOX5PKMMAPTHDAC3HDAC4
SCHEMBL29805312 0.72 ALOX5 (0.57) ALOX5PKMMAPTHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0422079-A4 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE 1991-08-21 EP disclosed
EP-0422079-A1 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE ABBOTT LABORATORIES (US) 1991-04-17 EP disclosed
WO-1989012636-A1 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE ABBOTT LABORATORIES (US) 1989-12-28 WO disclosed
EP-0346939-A1 Tricyclic lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1989-12-20 EP disclosed
US-4822811-A Carbazole lipoxygenase inhibiting compounds, compositions and use ABBOTT LABORATORIES (US) 1989-04-18 US disclosed