SCHEMBL171135

SCHEMBL171135

O=C(O)c1cccc(N2C(=O)CN(c3ccc(Cc4ccc(N5CC(=O)N(c6cccc(C(=O)O)c6)C5=O)cc4)cc3)C2=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 3/20 0.50
CTSG P08311 2/20 0.50
KMT2A Q03164 6/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
L3MBTL1 Q9Y468 4/20 0.47
MEN1 O00255 5/20 0.45
GAA P10253 3/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
POLB P06746 4/20 0.43
BLM P54132 2/20 0.43
TYMS P04818 1/20 0.41
RECQL P46063 2/20 0.41

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
SCHEMBL171115 0.97 CMA1 (0.51) CMA1CTSGKMT2AALDH1A1HPGD
SCHEMBL172854 0.95 ALDH1A1 (0.52) CMA1CTSGKMT2AALDH1A1HPGD
SCHEMBL172529 0.88 ALDH1A1 (0.61) CMA1CTSGKMT2AALDH1A1HPGD
SCHEMBL171096 0.87 CMA1 (0.52) CMA1CTSGKMT2AALDH1A1HPGD
SCHEMBL172775 0.86 ALDH1A1 (0.60) CMA1CTSGKMT2AALDH1A1HPGD
SCHEMBL133701 0.86 KMT2A (0.53) CMA1CTSGKMT2AALDH1A1HPGD
SCHEMBL131981 0.86 CMA1 (0.51) CMA1CTSGKMT2AALDH1A1HPGD
SCHEMBL172580 0.86 CMA1 (0.54) CMA1CTSGKMT2AALDH1A1HPGD
SCHEMBL172461 0.86 KMT2A (0.53) CMA1CTSGKMT2AALDH1A1HPGD
SCHEMBL132752 0.84 KMT2A (0.51) CMA1CTSGKMT2AALDH1A1HPGD

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
EP-1542667-B1 UREIDO SUBSTITUTED BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC THERAPEUTICS INC (US) 2012-03-07 EP disclosed