SCHEMBL7365073

SCHEMBL7365073

COc1ccc(CCNc2ccc([N+](=O)[O-])cc2)cc1O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
MAPT P10636 4/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
RAB9A P51151 1/20 0.55
TLR9 Q9NR96 1/20 0.55
ALDH1A1 P00352 3/20 0.52
LMNA P02545 2/20 0.52
GAA P10253 1/20 0.51
PKM P14618 1/20 0.51
KCNH2 Q12809 1/20 0.51
MAPK1 P28482 1/20 0.51
CDC25C P30307 1/20 0.48

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
SCHEMBL7397257 0.79 KMT2A (0.56) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL27943796 0.77 MAPT (0.58) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL3043741 0.75 ALDH1A1 (0.55) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL443353 0.75 TDP1 (0.64) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL31375357 0.75 TDP1 (0.64) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL29031938 0.74 CYP1A2 (0.59) MEN1KMT2ALMNAGAA
SCHEMBL3250031 0.74 TDP1 (0.62) MEN1KMT2AMAPTSMN1; SMN2RAB9A
Potassium SCHEMBL1531376 0.74 TDP1 (0.62) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL237798 0.74 TDP1 (0.62) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL3250030 0.74 TDP1 (0.62) MEN1KMT2AMAPTSMN1; SMN2RAB9A

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-0538384-A4 OXAMIDES SMITHKLINE BEECHAM CORP (US) 1995-04-12 EP disclosed
US-5393788-A Phenylalkyl oxamides SMITHKLINE BEECHAM CORPORATION (US) 1995-02-28 US disclosed
EP-0538384-A1 OXAMIDES SMITHKLINE BEECHAM CORPORATION (US) 1993-04-28 EP disclosed
WO-1992000968-A1 OXAMIDES SMITHKLINE BEECHAM CORPORATION (US) 1992-01-23 WO disclosed