SCHEMBL11305871

SCHEMBL11305871

CC1=CC(=O)C(NC(N)=O)=CC1=Nc1ccc(N)cc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PABPC1 P11940 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ PRSS1 P07477 1/20 0.32
▸ PRSS2 P07478 1/20 0.32
▸ PRSS3 P35030 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ PLK1 P53350 1/20 0.31
▸ PLK2 Q9NYY3 1/20 0.31

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
SCHEMBL10784128 0.89 NPC1 (0.36) PABPC1MAPTRAB9ANPC1NOS3
SCHEMBL11321519 0.86 PABPC1 (0.52) PABPC1MAPTRAB9ANPC1NOS3
SCHEMBL11256805 0.81 KDM4E (0.33) KDM4EGAA
SCHEMBL11623938 0.81 PABPC1 (0.36) PABPC1MAPTRAB9ANPC1KDM4E
SCHEMBL13525199 0.78 PABPC1 (0.41) PABPC1MAPTRAB9ANPC1NOS3
SCHEMBL11410525 0.77 ABCB11 (0.31) —
SCHEMBL11410522 0.77 MAPT (0.44) PABPC1MAPTRAB9ANPC1NOS3
SCHEMBL10782928 0.76 PABPC1 (0.41) PABPC1MAPTRAB9ANPC1NOS3
SCHEMBL11402669 0.75 — —
SCHEMBL11305891 0.75 MAPT (0.32) MAPTRAB9ANPC1NOS3NOS1

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-4248591-A HAIR DYES L'OREAL (FR) 1981-02-03 — — US disclosed
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