SCHEMBL9764841

SCHEMBL9764841

NC(=O)CN(O)CC(c1csc2ccccc12)c1csc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.54
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KCNH2 Q12809 1/20 0.41
JUN P05412 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
CYP2A6 P11509 2/20 0.37
CMA1 P23946 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

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) ALOX5CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9764855 0.76 ALOX5 (0.48) ALOX5CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10559634 0.76 ALOX5 (0.58) ALOX5CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9764875 0.76 ALOX5 (0.48) ALOX5CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9764812 0.75 ALOX5 (0.50) ALOX5CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9764916 0.74 ALOX5 (0.70) ALOX5CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5690336 0.71 ALOX5 (0.59) ALOX5CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9764885 0.71 ALOX5 (0.49) ALOX5CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5689869 0.70 ALOX5 (1.00) ALOX5CYP1A2MC4RMC5R
SCHEMBL4251872 0.70 ALOX5 (0.54) ALOX5CYP1A2CYP2D6CYP2C9CYP2C19

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