SCHEMBL6421087

SCHEMBL6421087

COC(=O)[C@@H](C)NCc1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
RECQL P46063 2/20 0.55
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KMT2A Q03164 2/20 0.52
PKM P14618 1/20 0.52
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
HPGD P15428 2/20 0.51
USP2 O75604 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
POLB P06746 1/20 0.51
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 1/20 0.47
TSHR P16473 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
SCHEMBL8803619 0.87 RECQL (0.60) RECQLHTTSMN1; SMN2KMT2APKM
SCHEMBL8437521 0.85 L3MBTL1 (0.56) RECQLHTTSMN1; SMN2KMT2APKM
SCHEMBL513249 0.85 L3MBTL1 (0.56) RECQLHTTSMN1; SMN2KMT2APKM
SCHEMBL513250 0.85 L3MBTL1 (0.56) RECQLHTTSMN1; SMN2KMT2APKM
Hydrochloric Acid SCHEMBL8439652 0.84 TBXAS1 (0.55) RECQLHTTSMN1; SMN2KMT2APKM
Hydrochloric Acid SCHEMBL8439653 0.84 TBXAS1 (0.55) RECQLHTTSMN1; SMN2KMT2APKM
SCHEMBL27567307 0.83 ALDH1A1 (0.53) ALDH1A1RECQLHTTSMN1; SMN2KMT2A
SCHEMBL7371606 0.83 ALDH1A1 (0.53) ALDH1A1RECQLHTTSMN1; SMN2KMT2A
SCHEMBL106076 0.81 MAPT (0.67) ALDH1A1KMT2AL3MBTL1POLBMAPT
SCHEMBL106075 0.81 MAPT (0.67) ALDH1A1KMT2AL3MBTL1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0983267-B1 AMIDOAROMATIC RING SULFONAMIDE HYDROXAMIC ACID COMPOUNDS PHARMACIA CORP (US) 2005-01-26 EP disclosed
US-6451791-B1 Amidoaromatic ring sulfonamide hydroxamic acid compounds MONSANTO COMPANY 2002-09-17 US disclosed
EP-0983267-A1 AMIDOAROMATIC RING SULFONAMIDE HYDROXAMIC ACID COMPOUNDS MONSANTO COMPANY (US) 2000-03-08 EP disclosed
WO-1998039329-A1 AMIDOAROMATIC RING SULFONAMIDE HYDROXAMIC ACID COMPOUNDS MONSANTO COMPANY (US) 1998-09-11 WO disclosed