SCHEMBL9764842

SCHEMBL9764842

CCC(c1csc2ccccc12)(c1csc2ccccc12)N(O)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.48
PKM P14618 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
CYP2A6 P11509 2/20 0.37
CYP1A2 P05177 2/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36

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
SCHEMBL10563662 0.90 ALOX5 (0.46) ALOX5PKMSLC6A2SLC6A4CYP2A6
SCHEMBL9764850 0.82 ALOX5 (0.51) ALOX5PKMCYP2A6MAPTGAA
SCHEMBL10559844 0.81 ALOX5 (0.50) ALOX5PKMCYP2A6MAPTGAA
SCHEMBL9764858 0.76 ALOX5 (0.51) ALOX5PKMSLC6A2SLC6A4CYP2A6
SCHEMBL10559326 0.73 ALOX5 (0.39) ALOX5PKMSLC6A2SLC6A4CYP2A6
SCHEMBL10595601 0.73 ALOX5 (0.45) ALOX5PKMSLC6A2SLC6A4CYP2A6
SCHEMBL9764872 0.73 MAOB (0.39) ALOX5MAPTGAAALDH1A1RAB9A
SCHEMBL10560611 0.71 PKM (0.45) ALOX5PKMCYP2A6CYP1A2MAPT
Ammonia Solution, Strong SCHEMBL10595606 0.70 PKM (0.44) ALOX5PKMCYP2A6CYP1A2MAPT
SCHEMBL12262385 0.70 CYP2A6 (0.46) ALOX5PKMSLC6A4CYP2A6CYP1A2

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