SCHEMBL13683552

SCHEMBL13683552

COC1=NN(C)C(=O)/C1=C/C=C1/Sc2ccccc2N1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.45
▸ MAPT P10636 11/20 0.45
▸ NPC1 O15118 10/20 0.45
▸ RAB9A P51151 10/20 0.45
▸ SMN1; SMN2 Q16637 7/20 0.45
▸ L3MBTL1 Q9Y468 4/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ NFKB1 P19838 3/20 0.45
▸ NFKB2 Q00653 3/20 0.45
▸ RELA Q04206 3/20 0.45
▸ MEN1 O00255 8/20 0.44
▸ KMT2A Q03164 8/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ PKM P14618 2/20 0.42
▸ HPGD P15428 1/20 0.41
▸ MAPK1 P28482 5/20 0.40
▸ THRB P10828 2/20 0.40
▸ POLB P06746 3/20 0.39
▸ TP53 P04637 3/20 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
SCHEMBL13683553 0.86 ALDH1A1 (0.44) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL14016121 0.83 ALDH1A1 (0.43) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13683554 0.81 MAPT (0.41) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13683558 0.78 MAPT (0.44) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13445655 0.78 ALDH1A1 (0.50) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13683529 0.74 MEN1 (0.36) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10621154 0.70 ALDH1A1 (0.57) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10621158 0.70 ALDH1A1 (0.57) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL14558282 0.70 MAPT (0.63) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13683582 0.69 MEN1 (0.45) ALDH1A1MAPTNPC1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595139-B2 Metal complex dye, color toner and color filter KONICA MINOLTA HOLDINGS, INC. (JP) 2009-09-29 — — US disclosed
US-7595139-B2 Metal complex dye, color toner and color filter KONICA MINOLTA HOLDINGS, INC. (JP) 2009-09-29 — — US disclosed
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