SCHEMBL18614962

SCHEMBL18614962

NCCCc1cc(OCc2ccccc2)ccc1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 4/20 0.52
▸ MAOB P27338 1/20 0.51
▸ PARP15 Q460N3 3/20 0.50
▸ SIRT2 Q8IXJ6 2/20 0.49
▸ LTA4H P09960 3/20 0.49
▸ LTB4R Q15722 1/20 0.48
▸ LTB4R2 Q9NPC1 1/20 0.48
▸ PARP14 Q460N5 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ TRPM8 Q7Z2W7 1/20 0.45
▸ FFAR1 O14842 2/20 0.45
▸ FFAR4 Q5NUL3 1/20 0.45
▸ NR4A2 P43354 1/20 0.45
▸ SPHK2 Q9NRA0 1/20 0.44

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
SCHEMBL3454792 0.79 PARP15 (0.62) PARP10MAOBPARP15SIRT2NR4A2
SCHEMBL7907691 0.79 MAOB (0.73) PARP10MAOBPARP15SIRT2NR4A2
SCHEMBL162815 0.78 PARP10 (0.60) PARP10MAOBPARP15SIRT2MAPT
SCHEMBL10367941 0.78 LTB4R (0.61) MAOBLTB4RLTB4R2NR4A2
SCHEMBL11091059 0.77 EGFR (0.49) PARP10MAOBSIRT2LTA4HKDM4E
SCHEMBL4930554 0.75 PARP10 (0.60) PARP10MAOBPARP15SIRT2MAPT
SCHEMBL9662974 0.75 MEN1 (0.50) PARP10MAOBPARP15SIRT2LTB4R
SCHEMBL6140955 0.75 PARP15 (0.75) PARP10MAOBPARP15SIRT2PARP14
SCHEMBL4693369 0.74 FFAR1 (0.49) PARP10MAOBPARP15PARP14MAPT
SCHEMBL2206195 0.73 CYP4F2 (0.66) MAOBNR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017042099-A1 EFFLUX-PUMP INHIBITORS AND THERAPEUTIC USES THEREOF BASILEA PHARMACEUTICA AG (CH) 2017-03-16 — — WO disclosed
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