SCHEMBL29038577

SCHEMBL29038577

CCCCCCCCCCCCNC(=O)N1C=Cc2ccccc2C1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 9/20 0.62
ASAH1 Q13510 5/20 0.52
NAAA Q02083 1/20 0.45
PKM P14618 1/20 0.44
HDAC3 O15379 1/20 0.44
ALDH1A1 P00352 1/20 0.43
EPHX1 P07099 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL16268687 0.90 NAMPT (0.47) NAMPTASAH1PKMHDAC3HTT
SCHEMBL29038579 0.87 NAMPT (0.52) NAMPTHDAC3
SCHEMBL28245942 0.84 HDAC3 (0.43) NAMPTHDAC3HTT
Hydrochloric Acid SCHEMBL991577 0.83 HDAC3 (0.42) NAMPTHDAC3HTT
SCHEMBL30468209 0.78 TACR1 (0.46) NAMPTHDAC3
SCHEMBL3703772 0.77 NAMPT (1.00) NAMPT
SCHEMBL3708561 0.77 NAMPT (1.00) NAMPT
SCHEMBL324190 0.74 BCHE (0.44) NAMPTHDAC3ALDH1A1
SCHEMBL4553750 0.74 HTT (0.47) NAMPTHDAC3HTT
SCHEMBL16268685 0.73 P2RX4 (0.50) NAMPTHDAC3ALDH1A1

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
CN-116479237-A Extractant, preparation method and application thereof 中国科学院过程工程研究所 2023-07-25 CN disclosed