SCHEMBL3140429

SCHEMBL3140429

Cc1cccc2[nH]c(-c3ccc(-c4nc5c(C)cccc5[nH]4)o3)nc12

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGAM O43451 16/20 0.59
GAA P10253 16/20 0.59
SI P14410 16/20 0.59
MGAM2 Q2M2H8 16/20 0.59
ESR1 P03372 1/20 0.56
CBFB Q13951 1/20 0.56
ADORA3 P0DMS8 1/20 0.52
ADORA2A P29274 1/20 0.52
ADORA1 P30542 1/20 0.52

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
SCHEMBL14259589 0.86 NPC1 (0.49) MGAMGAASIMGAM2ESR1
SCHEMBL1170892 0.85 MGAM (0.71) MGAMGAASIMGAM2ESR1
SCHEMBL7040235 0.83 MGAM (0.52) MGAMGAASIMGAM2
SCHEMBL6663139 0.82 MGAM (0.55) MGAMGAASIMGAM2ESR1
SCHEMBL7034092 0.80 HPSE (0.52) MGAMGAASIMGAM2
SCHEMBL14259587 0.79 ESR1 (0.42) MGAMGAASIMGAM2ESR1
SCHEMBL2578465 0.79 CBFB (0.73) MGAMGAASIMGAM2ESR1
SCHEMBL5074029 0.77 MGAM (0.76) MGAMGAASIMGAM2ESR1
SCHEMBL30615069 0.77 MGAM (0.76) MGAMGAASIMGAM2ESR1
SCHEMBL14259590 0.77 NPC1 (0.45) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7641765-B2 Applying slurry containing optical brighteners BASF AKTIENGESELLSCHAFT (DE) 2010-01-05 US disclosed
US-20040154764-A1 Applying slurry containing optical brighteners BASF AKTIENGESELLSCHAFT (DE) 2004-08-12 US disclosed