SCHEMBL10695650

SCHEMBL10695650

Cc1cccc2[nH]c(-c3ccc(F)cc3)nc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGAM O43451 13/20 1.00
GAA P10253 13/20 1.00
SI P14410 13/20 1.00
MGAM2 Q2M2H8 13/20 1.00
TNKS O95271 1/20 0.65
TNKS2 Q9H2K2 1/20 0.65
PARP2 Q9UGN5 1/20 0.65
HPSE Q9Y251 2/20 0.62
KDM4E B2RXH2 2/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
ALDH1A1 P00352 1/20 0.60
TP53 P04637 1/20 0.60
HPGD P15428 1/20 0.60
HSD17B10 Q99714 1/20 0.60
ESR1 P03372 1/20 0.54
CBFB Q13951 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
SCHEMBL6056826 0.87 MGAM (0.77) MGAMGAASIMGAM2TNKS
SCHEMBL30615069 0.85 MGAM (0.76) MGAMGAASIMGAM2TNKS
SCHEMBL5074029 0.85 MGAM (0.76) MGAMGAASIMGAM2TNKS
SCHEMBL1128986 0.84 MGAM (0.72) MGAMGAASIMGAM2HPSE
SCHEMBL13133302 0.84 MGAM (1.00) MGAMGAASIMGAM2TNKS
SCHEMBL6325053 0.84 GAA (0.72) MGAMGAASIMGAM2TNKS
SCHEMBL3916114 0.83 MGAM (0.71) MGAMGAASIMGAM2TNKS
SCHEMBL1170892 0.82 MGAM (0.71) MGAMGAASIMGAM2ESR1
SCHEMBL5201203 0.82 MGAM (1.00) MGAMGAASIMGAM2PARP2
SCHEMBL20597842 0.81 MGAM (0.68) MGAMGAASIMGAM2TNKS

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
EP-0251760-A2 Rubber composition Bridgestone Corporation (JP) 1988-01-07 EP disclosed