SCHEMBL5879588

SCHEMBL5879588

O=C(O)NCCc1ccc(-c2nc3ccccc3[nH]2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.62
MMP9 P14780 4/20 0.62
MMP8 P22894 4/20 0.62
MMP13 P45452 3/20 0.62
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
HPGD P15428 2/20 0.58
KMT2A Q03164 1/20 0.58
HPSE Q9Y251 2/20 0.56
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
GAA P10253 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 1/20 0.54
PKM P14618 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
ITGB3 P05106 1/20 0.54
ITGAV P06756 1/20 0.54

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
SCHEMBL6440551 0.83 BCHE (0.61) MMP2MMP9MMP8MMP13KDM4E
SCHEMBL7430166 0.79 KDM4E (0.63) MMP2MMP9MMP8MMP13KDM4E
SCHEMBL10454789 0.78 HTT (0.76) GAASMN1; SMN2LMNA
SCHEMBL7430161 0.77 TNKS (0.58) MMP2MMP9MMP8MMP13KDM4E
SCHEMBL4702843 0.76 NPC1 (0.69) MMP2MMP9MMP8MMP13KDM4E
SCHEMBL2617472 0.76 NPC1 (0.66) MMP2MMP9MMP8MMP13KDM4E
SCHEMBL4702840 0.76 KDM4E (0.59) MMP2MMP9MMP8MMP13KDM4E
SCHEMBL1728418 0.75 CNR1 (0.59) MMP2KMT2AGAALMNA
SCHEMBL2178266 0.75 NPC1 (0.88) MMP2MMP9MMP8KDM4EALDH1A1
SCHEMBL29386825 0.75 NPC1 (0.88) MMP2MMP9MMP8KDM4EALDH1A1

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
US-7105508-B1 Integrin receptors antagonists ABBOTT GMBH & CO. KG (DE) 2006-09-12 US disclosed