SCHEMBL7465608

SCHEMBL7465608

N=C(c1ccc(CN)cc1)N(C(=N)c1ccc(CN)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 4/20 0.52
▸ F10 P00742 1/20 0.52
▸ HDAC3 O15379 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ NCOR2 Q9Y618 1/20 0.47
▸ PRSS1 P07477 3/20 0.40
▸ ST14 Q9Y5Y6 2/20 0.40
▸ PLG P00747 2/20 0.40
▸ PLAU P00749 2/20 0.40
▸ PLAT P00750 1/20 0.40
▸ KLKB1 P03952 1/20 0.40
▸ F2 P00734 2/20 0.40
▸ PRSS2 P07478 2/20 0.40
▸ PRSS3 P35030 2/20 0.40
▸ C1S P09871 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TPSAB1 Q15661 3/20 0.39
▸ ABAT P80404 1/20 0.39
▸ CYP1A2 P05177 1/20 0.37

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
SCHEMBL3191980 0.75 LOXL2 (0.48) LOXL2F10HDAC3HDAC6NCOR2
SCHEMBL27468701 0.75 CYP1A2 (0.46) LOXL2F10HDAC3HDAC6NCOR2
Aminomethylbenzoic Acid SCHEMBL38758 0.73 ALDH1A1 (0.60) LOXL2F10HDAC3HDAC6NCOR2
Aminomethylbenzoic Acid SCHEMBL9344424 0.73 ALDH1A1 (0.60) LOXL2F10HDAC3HDAC6NCOR2
Bicarbonate SCHEMBL31055587 0.72 ABAT (0.60) LOXL2F10HDAC3HDAC6NCOR2
Aminomethylbenzoic Acid SCHEMBL1567841 0.71 ALDH1A1 (0.58) LOXL2F10HDAC3HDAC6NCOR2
Aminomethylbenzoic Acid SCHEMBL7428232 0.71 ALDH1A1 (0.58) LOXL2F10HDAC3HDAC6NCOR2
Aminomethylbenzoic Acid SCHEMBL1206230 0.71 ALDH1A1 (0.58) LOXL2F10HDAC3HDAC6NCOR2
SCHEMBL4603744 0.71 LOXL2 (0.58) LOXL2F10HDAC3HDAC6NCOR2
Aminomethylbenzoic Acid SCHEMBL28342619 0.71 ALDH1A1 (0.58) LOXL2F10HDAC3HDAC6NCOR2

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-2000032574-A1 NOVEL 2-PYRIDONE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USE SANOFI-SYNTHELABO (FR) 2000-06-08 — — WO disclosed
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