SCHEMBL10143367

SCHEMBL10143367

Cc1cc(=O)[nH]c2cc(NC(=O)C(N)CCCCN)ccc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 5/20 0.47
▸ CHEK1 O14757 1/20 0.47
▸ LTA4H P09960 1/20 0.45
▸ KDM4E B2RXH2 5/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ GLA P06280 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ LMNA P02545 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ SPHK1 Q9NYA1 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SUV39H2 Q9H5I1 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ CIT O14578 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL366088 0.88 CHEK1 (0.44) TERTCHEK1LTA4HKDM4EALDH1A1
SCHEMBL10143785 0.82 CA1 (0.45) CHEK1KDM4EGLAGAAKMT2A
SCHEMBL10144322 0.82 CA1 (0.45) CHEK1KDM4EGLAGAAKMT2A
SCHEMBL29543976 0.79 CA12 (0.58) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL29355291 0.79 CA12 (0.58) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL5664318 0.79 CA12 (0.58) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL7203173 0.79 CA12 (0.58) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL14369937 0.78 KDM4E (0.53) KDM4EALDH1A1HPGDGLAGAA
Acetic Acid SCHEMBL29576439 0.77 CA12 (0.58) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL12330807 0.76 KDM4E (0.44) TERTCHEK1KDM4EALDH1A1HPGD

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
WO-2012009258-A2 PEPTIDOMIMETIC GALANIN RECEPTOR MODULATORS ROBERTS EDWARD (US) 2012-01-19 — — WO disclosed
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