SCHEMBL7416002

SCHEMBL7416002

O=C(NC1CCCCC1C(=O)NO)c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.54
▸ HDAC6 Q9UBN7 1/20 0.54
▸ ALDH1A1 P00352 4/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ MMP2 P08253 1/20 0.50
▸ ANPEP P15144 1/20 0.50
▸ ADAM17 P78536 5/20 0.49
▸ TSHR P16473 1/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ GRM5 P41594 1/20 0.47

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
SCHEMBL27761583 0.80 ALDH1A1 (0.55) HDAC1HDAC6ALDH1A1SMN1; SMN2TSHR
SCHEMBL7511254 0.79 GRM5 (0.54) HDAC1HDAC6ALDH1A1SMN1; SMN2TSHR
SCHEMBL3427705 0.78 ALDH1A1 (0.74) HDAC1HDAC6ALDH1A1SMN1; SMN2TSHR
SCHEMBL5898101 0.77 HDAC1 (0.54) HDAC1HDAC6ADAM17
SCHEMBL10143960 0.76 ALDH1A1 (0.77) HDAC1HDAC6ALDH1A1SMN1; SMN2TSHR
SCHEMBL4414127 0.76 ALDH1A1 (0.77) HDAC1HDAC6ALDH1A1SMN1; SMN2TSHR
SCHEMBL5897842 0.75 ADAM17 (0.42) ALDH1A1SMN1; SMN2ADAM17
SCHEMBL5897844 0.75 ADAM17 (0.42) ALDH1A1SMN1; SMN2ADAM17
SCHEMBL3427969 0.75 ALDH1A1 (0.70) HDAC1HDAC6ALDH1A1SMN1; SMN2MMP2
SCHEMBL1116630 0.74 ALDH1A1 (0.78) HDAC1HDAC6ALDH1A1SMN1; SMN2MMP2

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
US-6218389-B1 FOR THERAPY AND PROPHYLAXIS OF ARTHRITIS, CANCER, CARDIOVASCULAR DISORDERS; SKIN DISORDERS; OCULAR DISORDERS; INFLAMMATION AND GUM DISEASES, MULTIPLE SCLEROSIS, CACHEXIA, PREVENTING LOOSENING OF PROSTHETIC DEVICES THE PROCTER & GAMBLE CO. 2001-04-17 — — US disclosed
EP-1009737-A2 SULFONYLAMINO SUBSTITUTED HYDROXAMIC ACID DERIVATIVES AS METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2000-06-21 — — EP disclosed
WO-1999006340-A2 SULFONYLAMINO SUBSTITUTED HYDROXAMIC ACID DERIVATIVES AS METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1999-02-11 — — WO disclosed
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