SCHEMBL11305891

SCHEMBL11305891

CC1=CC(=O)C(NC(N)=O)=C(C)C1=Nc1ccc(N)cc1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ NOS3 P29474 1/20 0.32
▸ NOS1 P29475 1/20 0.32
▸ NOS2 P35228 1/20 0.32
▸ PRSS1 P07477 1/20 0.31
▸ PRSS2 P07478 1/20 0.31
▸ PRSS3 P35030 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL11321038 0.86 PABPC1 (0.42) MAPTNPC1RAB9ANOS3NOS1
SCHEMBL11409533 0.77 MAPT (0.43) MAPTNPC1RAB9AKDM4EPOLB
SCHEMBL10788045 0.77 NPC1 (0.33) MAPTNPC1RAB9ANOS3NOS1
SCHEMBL11305871 0.75 PABPC1 (0.34) MAPTNPC1RAB9ANOS3NOS1
SCHEMBL11406725 0.73 HSP90AA1 (0.31) —
SCHEMBL16426660 0.72 GAA (0.33) MAPTRAB9AKDM4EGAAL3MBTL1
SCHEMBL15020261 0.72 GAA (0.33) MAPTRAB9AKDM4EGAAL3MBTL1
SCHEMBL15020263 0.72 GAA (0.33) MAPTRAB9AKDM4EGAAL3MBTL1
SCHEMBL15039497 0.70 DNM1 (0.35) MAPTRAB9AKDM4EPOLBGAA
SCHEMBL11627038 0.70 KMT2A (0.33) MAPTNPC1RAB9APOLBGAA

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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