SCHEMBL7765872

SCHEMBL7765872

Cc1cccc2[nH]c(-c3cccc(-n4cccc4CCN)c3)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 13/20 0.51
GAA P10253 13/20 0.51
SI P14410 13/20 0.51
MGAM2 Q2M2H8 13/20 0.51
MMP2 P08253 2/20 0.44
MMP9 P14780 2/20 0.44
MMP8 P22894 2/20 0.44
MMP13 P45452 1/20 0.44
VSIR Q9H7M9 1/20 0.42
ESR1 P03372 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
HPSE Q9Y251 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL7763628 0.91 MGAM (0.53) MGAMGAASIMGAM2MMP2
SCHEMBL3584741 0.75 PARP1 (0.59)
SCHEMBL6579004 0.73 PARP1 (0.41)
SCHEMBL7854331 0.69 MGAM (0.58) MGAMGAASIMGAM2MMP2
SCHEMBL5074029 0.69 MGAM (0.76) MGAMGAASIMGAM2ESR1
SCHEMBL30615069 0.69 MGAM (0.76) MGAMGAASIMGAM2ESR1
SCHEMBL7047918 0.69 MGAM (0.68) MGAMGAASIMGAM2ESR1
SCHEMBL6325053 0.68 GAA (0.72) MGAMGAASIMGAM2HPSE
SCHEMBL3577208 0.67 PARP1 (0.55)
SCHEMBL1170892 0.67 MGAM (0.71) MGAMGAASIMGAM2ESR1

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
WO-2001082877-A2 USE OF PARP INHIBITORS IN COSMETIC PREPARATIONS BASF AKTIENGESELLSCHAFT (DE) 2001-11-08 WO disclosed