SCHEMBL28825749

SCHEMBL28825749

Cc1ccc(NC2=C(C(=O)O)CC(Nc3ccccc3)=C(C(=O)O)C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.55
▸ MAPT P10636 6/20 0.45
▸ NPC1 O15118 5/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ GAA P10253 2/20 0.44
▸ POLB P06746 1/20 0.43
▸ AKR1C3 P42330 1/20 0.43
▸ AKR1C2 P52895 1/20 0.43
▸ PTGS2 P35354 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ CCR6 P51684 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ MAPK13 O15264 1/20 0.41

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
SCHEMBL1415514 0.95 AKR1C3 (0.46) HPGDMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1415624 0.89 CASP3 (0.45) HPGDMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL3900458 0.82 CASP3 (0.52) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL7621011 0.82 MAPT (0.49) HPGDMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3909913 0.80 MAPT (0.49) HPGDMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1415828 0.78 TDP1 (0.48) HPGDMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1415410 0.77 AKR1C3 (0.45) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL1415827 0.77 AKR1C3 (0.45) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL1415497 0.77 DHODH (0.44) HPGDMAPTNPC1RAB9AMEN1
SCHEMBL9065020 0.77 MAPT (0.48) HPGDMAPTNPC1RAB9ASMN1; SMN2

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
CN-105189659-A Quinacridone pigment of low amine content and method for producing same DAINIPPON INK & CHEMICALS 2015-12-23 — — CN disclosed
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