SCHEMBL14439368

SCHEMBL14439368

CC(=O)NC(Cc1c[nH]cn1)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ F2 P00734 5/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ F10 P00742 1/20 0.36
▸ HPN P05981 1/20 0.36
▸ HGFAC Q04756 1/20 0.36
▸ ST14 Q9Y5Y6 1/20 0.36
▸ APLNR P35414 1/20 0.36
▸ TFPI P10646 1/20 0.36
▸ ESR1 P03372 2/20 0.35
▸ NPC1 O15118 1/20 0.35

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
SCHEMBL29543962 0.93 KDM4E (0.37) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL31002988 0.83 FURIN (0.46) F2CA12CA1CA9KDM4E
SCHEMBL29544240 0.82 NPY4R (0.42) CA12CA1CA9KDM4EALDH1A1
SCHEMBL14439367 0.80 KDM4E (0.41) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL29855644 0.80 NPY4R (0.38) CA12CA1CA9KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL29374860 0.79 NPY4R (0.46) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL1269496 0.78 KDM4E (0.48) CA12CA1CA9KDM4EALDH1A1
SCHEMBL29567047 0.78 KDM4E (0.48) CA12CA1CA9KDM4EALDH1A1
SCHEMBL30688763 0.78 CA12 (0.45) CA12CA1CA9KDM4EALDH1A1
SCHEMBL19117207 0.78 CA12 (0.60) CA12CA1CA9KDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253207-B2 Quinones as disease therapies CELLGATE, INC. (US) 2007-08-07 — — US disclosed
US-7253207-B2 Quinones as disease therapies CELLGATE, INC. (US) 2007-08-07 — — US disclosed
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