SCHEMBL14780598

SCHEMBL14780598

COC(=O)[C@@H](N)Cc1cnc2cc(N)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
HPGDS O60760 8/20 0.38
CLK1 P49759 1/20 0.38
TPH1 P17752 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
MAOB P27338 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
EGFR P00533 1/20 0.36

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
SCHEMBL9727511 0.85 TPH1 (0.50) TPH1SIRT2MEN1LMNAKMT2A
SCHEMBL8298247 0.85 TPH1 (0.50) TPH1SIRT2MEN1LMNAKMT2A
SCHEMBL15314366 0.84 TPH1 (0.47) ALDH1A1TPH1MEN1LMNAMAPT
SCHEMBL26751802 0.77 EGFR (0.45) ALDH1A1MEN1LMNAMAPTKMT2A
SCHEMBL27477965 0.75 ALDH1A1 (0.51) ALDH1A1
SCHEMBL5916451 0.75 ALDH1A1 (0.51) ALDH1A1
SCHEMBL1108340 0.75 ALDH1A1 (0.51) ALDH1A1
SCHEMBL14780596 0.74 CPB2 (0.52) ALDH1A1
SCHEMBL29162421 0.73 ALDH1A1 (0.49) ALDH1A1
SCHEMBL7980841 0.73 CYP1A2 (0.50) ALDH1A1TPH1SIRT2MEN1LMNA

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-8399614-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2013-03-19 US disclosed