SCHEMBL19308366

SCHEMBL19308366

Cc1cc(N2CCOC2=O)ccc1[N+](=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
CCNC P24863 2/20 0.37
CDK8 P49336 2/20 0.37
MMP12 P39900 3/20 0.37
MMP13 P45452 3/20 0.37
CMA1 P23946 5/20 0.36
F10 P00742 1/20 0.36
ADAMTS4 O75173 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP14 P50281 1/20 0.35
ADAM17 P78536 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KDM1A O60341 3/20 0.35

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
SCHEMBL16704191 0.86 HPGD (0.56) HPGDCMA1KDM4EALDH1A1
SCHEMBL16703464 0.78 RAD52 (0.45) CCNCCDK8MMP12MMP13CMA1
SCHEMBL10192199 0.77 IDH1 (0.43) CCNCCDK8MMP12MMP13CMA1
SCHEMBL850221 0.77 TSHR (0.50) HPGDCCNCCDK8MMP12MMP13
SCHEMBL11741584 0.77 CCNC (0.40) CCNCCDK8MMP12MMP13CMA1
SCHEMBL15499081 0.75 PKM (0.48) HPGDCCNCCDK8CMA1KDM4E
SCHEMBL17151142 0.74 PIK3CA (0.47) CCNCCDK8CMA1ALDH1A1
SCHEMBL8256507 0.74 SCN9A (0.43) CCNCCDK8MMP12MMP13CMA1
SCHEMBL19308367 0.73 CMA1 (0.44) HPGDCMA1ALDH1A1
SCHEMBL19308381 0.72 CRHR1 (0.37) CMA1ALDH1A1

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-9751843-B2 Substituted uracils and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-05 US disclosed