SCHEMBL27348044

SCHEMBL27348044

O=[C]C(CCCC(=O)O)NC(=O)c1ccc2ccccc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.50
▸ GAA P10253 2/20 0.50
▸ MAPT P10636 1/20 0.50
▸ HDAC1 Q13547 3/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ HDAC8 Q9BY41 2/20 0.48
▸ MGAM O43451 1/20 0.44
▸ HPGD P15428 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ PRNP P04156 1/20 0.43

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
SCHEMBL7392749 0.80 ALDH1A1 (0.58) KDM4CALDH1A1GAAMAPTHDAC1
SCHEMBL6443604 0.80 ALDH1A1 (0.58) KDM4CALDH1A1GAAMAPTHDAC1
SCHEMBL8742431 0.79 ALDH1A1 (0.54) KDM4CALDH1A1GAAMAPTRAB9A
SCHEMBL8742547 0.76 ALDH1A1 (0.50) KDM4CALDH1A1GAAMAPTHDAC1
SCHEMBL27511014 0.74 CTSK (0.61) KDM4CALDH1A1GAAMAPTHDAC1
SCHEMBL27968060 0.72 MGAM (0.59) KDM4CALDH1A1GAAMAPTHDAC1
SCHEMBL5829481 0.72 HDAC8 (0.55) KDM4CALDH1A1GAAMAPTRAB9A
SCHEMBL9230708 0.72 KDM4C (0.59) KDM4CALDH1A1GAAMAPTHDAC1
SCHEMBL3382423 0.71 MGAM (0.57) KDM4CALDH1A1GAAMAPTHDAC1
SCHEMBL13471183 0.71 HDAC1 (0.53) KDM4CALDH1A1GAAMAPTHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1056602-C Esters and amides as PLA2 inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 2000-09-20 — — CN disclosed
CN-1197450-A Esters and amides as phospholipase A2 inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 1998-10-28 — — CN disclosed
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