SCHEMBL11794810

SCHEMBL11794810

CC1=CC(=Nc2ccc(O)cc2)C(N)=CC1=N

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.34
▸ NOS2 P35228 1/20 0.34
▸ CA12 O43570 3/20 0.32
▸ CA2 P00918 3/20 0.32
▸ CA9 Q16790 3/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ CA1 P00915 2/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ CA7 P43166 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ HTT P42858 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
SCHEMBL15037463 0.83 S100B (0.36) NOS3NOS2CA12CA2CA9
SCHEMBL11789051 0.83 S100B (0.36) NOS3NOS2CA12CA2CA9
SCHEMBL11790187 0.81 PABPC1 (0.50) CA12CA2CA9MEN1KMT2A
SCHEMBL10046784 0.81 PABPC1 (0.36) NOS3NOS2CA12CA2CA9
Hydrochloric Acid SCHEMBL11798958 0.80 PABPC1 (0.49) CA12CA2CA9MEN1KMT2A
SCHEMBL15018842 0.78 LTA4H (0.38) NOS3NOS2MEN1KMT2AESR2
SCHEMBL15018839 0.78 LTA4H (0.38) NOS3NOS2MEN1KMT2AESR2
SCHEMBL16369055 0.77 LTA4H (0.42) NOS3NOS2CA12CA2CA9
SCHEMBL22683194 0.76 DNM1 (0.39) MEN1KMT2ANPC1HSP90AA1RAB9A
SCHEMBL20288338 0.76 DNM1 (0.39) MEN1KMT2ANPC1HSP90AA1RAB9A

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-3989447-A Process for nonpermanently dyeing human hair with indamine indoaniline and indophenol hair dyes SOCIETE ANONYME DITE: L'OREAL (FR) 1976-11-02 — — US disclosed
Send feedback