SCHEMBL25070577

SCHEMBL25070577

CN(C)c1ccc(-c2ccc(-c3nnc(-c4ccc(-c5ccc(N(C)C)cc5)s4)c4nsnc34)s2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 7/20 0.54
▸ GAA P10253 4/20 0.41
▸ MGAM O43451 1/20 0.41
▸ SI P14410 1/20 0.41
▸ MGAM2 Q2M2H8 1/20 0.41
▸ ALDH1A1 P00352 7/20 0.40
▸ MAPT P10636 6/20 0.40
▸ KDM4E B2RXH2 6/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ HPGD P15428 3/20 0.40
▸ TP53 P04637 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ HCRTR1 O43613 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ CASP3 P42574 1/20 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
SCHEMBL25070680 0.85 APP (0.41) APPGAAMGAMSIMGAM2
SCHEMBL25070495 0.83 APP (0.56) APPGAAMGAMSIMGAM2
SCHEMBL25070615 0.77 ESR1 (0.37) APP
SCHEMBL25070566 0.74 APP (0.46) APPGAAMGAMSIMGAM2
SCHEMBL11983081 0.72 APP (0.63) APPGAAMGAMSIMGAM2
SCHEMBL16674413 0.72 MAPT (0.37) GAAALDH1A1MAPTKDM4ENPC1
SCHEMBL25070686 0.71 — —
SCHEMBL25070581 0.71 APP (0.41) APPGAAMGAMSIMGAM2
SCHEMBL711589 0.71 MAPT (0.45) APPGAAMGAMSIMGAM2
SCHEMBL12973260 0.68 APP (1.00) APPGAAALDH1A1MAPTKDM4E

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-20230053362-A1 DICHROIC DYE COMPOSITION MERCK PATENT GMBH (DE) 2023-02-23 — — US disclosed
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