SCHEMBL14294535

SCHEMBL14294535

O=C/C(Cl)=N\Nc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ GAA P10253 7/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ LMNA P02545 3/20 0.40
▸ MAPT P10636 8/20 0.40
▸ NOX1 Q9Y5S8 1/20 0.39
▸ GFER P55789 3/20 0.39
▸ NPSR1 Q6W5P4 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ DEPTOR Q8TB45 1/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ HTT P42858 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37

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
SCHEMBL9883332 1.00 CA1 (0.41) CA1CA2CA4CA7GAA
SCHEMBL14294536 0.82 CA1 (0.43) CA1CA2CA4CA7GAA
SCHEMBL2552954 0.81 CA1 (0.44) CA1CA2CA4CA7GAA
SCHEMBL2552950 0.81 CA1 (0.44) CA1CA2CA4CA7GAA
SCHEMBL2552951 0.81 CA1 (0.44) CA1CA2CA4CA7GAA
SCHEMBL14294083 0.81 ALDH1A1 (0.40) CA1CA2CA4GAAALDH1A1
SCHEMBL11752824 0.76 GFER (0.46) GAAALDH1A1LMNAMAPTNOX1
SCHEMBL1123684 0.75 GFER (0.49) CA1CA2CA4CA7GAA
SCHEMBL21283631 0.74 ALDH1A1 (0.45) GAAALDH1A1LMNAMAPTNOX1
SCHEMBL3277615 0.74 ALDH1A1 (0.45) GAAALDH1A1LMNAMAPTNOX1

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-7329651-B2 Cannabimimetic ligands UNIVERSITY OF CONNECTICUT (US) 2008-02-12 — — US disclosed
Send feedback