SCHEMBL9764875

SCHEMBL9764875

O=C(NO)N(O)CC(c1csc2ccccc12)c1csc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.48
HDAC6 Q9UBN7 3/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CMA1 P23946 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 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
SCHEMBL9764840 0.83 ALOX5 (0.60) ALOX5HDAC6HDAC1HDAC3HDAC4
SCHEMBL9764812 0.80 ALOX5 (0.50) ALOX5HDAC6HDAC1HDAC3HDAC4
SCHEMBL9764855 0.76 ALOX5 (0.48) ALOX5HDAC6HDAC1HDAC3HDAC4
SCHEMBL9764841 0.76 ALOX5 (0.54) ALOX5HDAC6HDAC1HDAC3HDAC4
SCHEMBL9764826 0.74 MAOB (0.40) CMA1HSD17B2
SCHEMBL10559634 0.73 ALOX5 (0.58) ALOX5HDAC6HDAC1HDAC3HDAC4
SCHEMBL9764884 0.69 ALOX5 (0.57) ALOX5HDAC6HDAC1HDAC3HDAC4
SCHEMBL9764863 0.69 ALOX5 (0.53) ALOX5HDAC6HDAC1HDAC3HDAC4
SCHEMBL9764916 0.68 ALOX5 (0.70) ALOX5CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4478674 0.68 ALOX5 (0.51) ALOX5HDAC6HDAC1HDAC3HDAC4

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-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