SCHEMBL9764863

SCHEMBL9764863

CCNC(=O)N(O)C(c1csc2ccccc12)c1csc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.53
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.46
CYP2C19 P33261 1/20 0.46
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 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
SCHEMBL9764884 0.85 ALOX5 (0.57) ALOX5GAAPKMSMN1; SMN2TP53
SCHEMBL9764907 0.80 ALOX5 (0.61) ALOX5GAAPKMHDAC3HDAC4
SCHEMBL9764881 0.75 MAOB (0.43) TP53CMA1
SCHEMBL5691758 0.71 ALOX5 (0.76) ALOX5PKMHDAC3HDAC4HDAC1
SCHEMBL8329059 0.70 CYP1A2 (0.72) CYP1A2CYP3A4GAACYP2C19SMN1; SMN2
SCHEMBL5689869 0.70 ALOX5 (1.00) ALOX5CYP1A2GAA
SCHEMBL9764875 0.69 ALOX5 (0.48) ALOX5CYP1A2CYP2C19PKMHDAC3
SCHEMBL5469039 0.69 ALOX5 (0.50) ALOX5CYP1A2CYP3A4GAACYP2C19
SCHEMBL10140570 0.69 ALOX5 (0.50) ALOX5CYP1A2CYP3A4GAACYP2C19
SCHEMBL9764812 0.68 ALOX5 (0.50) ALOX5CYP1A2CYP3A4GAACYP2C19

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