SCHEMBL4799037

SCHEMBL4799037

CC1C=NN(c2ccccc2)C1.Nc1ncccc1O

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
KDM1A O60341 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
IDO1 P14902 1/20 0.31
PSMB5 P28074 1/20 0.31
PRKCI P41743 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 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
SCHEMBL22906223 0.80 L3MBTL1 (0.38) MAOBKDM4EMAPT
SCHEMBL9923533 0.80 L3MBTL1 (0.38) MAOBKDM4EMAPT
SCHEMBL4870156 0.70 NOS3 (0.52) NAPRTNOS3NOS1NOS2HSP90AA1
SCHEMBL29358060 0.70
SCHEMBL33700 0.70
SCHEMBL22055640 0.68 SMN1; SMN2 (0.40) KDM4EMAPT
Hydrochloric Acid SCHEMBL11635965 0.68
Methane SCHEMBL28430816 0.68
SCHEMBL19391639 0.63 ALOX5 (0.44) KDM4EMAPT
SCHEMBL16196249 0.62 MKNK1 (0.47) NAPRTNOS3NOS1NOS2KDM1A

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-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 US disclosed