SCHEMBL3841868

SCHEMBL3841868

O=C(O)c1cc(C(=O)O)cc(N2C(=O)c3cccc4cccc(c34)C2=O)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.75
RXFP1 Q9HBX9 3/20 0.75
CA12 O43570 2/20 0.75
CA9 Q16790 2/20 0.75
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
ALDH1A1 P00352 5/20 0.54
KDM4E B2RXH2 5/20 0.54
HPGD P15428 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
SCN2A Q99250 1/20 0.53
POLB P06746 2/20 0.52
CASP6 P55212 2/20 0.52
APEX1 P27695 1/20 0.51
RECQL P46063 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
TYMS P04818 1/20 0.51

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
SCHEMBL1514286 0.89 L3MBTL1 (0.73) L3MBTL1RXFP1CA12CA9MEN1
SCHEMBL4582684 0.86 CA9 (1.00) L3MBTL1RXFP1CA12CA9MEN1
SCHEMBL4924424 0.85 KDM4E (0.54) L3MBTL1RXFP1CA12CA9MEN1
SCHEMBL20524185 0.85 CA12 (0.71) L3MBTL1RXFP1CA12CA9MEN1
SCHEMBL5161227 0.84 MEN1 (0.75) L3MBTL1RXFP1CA12CA9MEN1
SCHEMBL11932613 0.80 KDM4E (0.83) L3MBTL1RXFP1CA12CA9MEN1
SCHEMBL5535555 0.80 KMT2A (0.60) L3MBTL1RXFP1CA12CA9MEN1
SCHEMBL14409061 0.79 KDM4E (0.52) L3MBTL1RXFP1CA12CA9MEN1
SCHEMBL14510297 0.78 KMT2A (0.59) L3MBTL1RXFP1CA12CA9MEN1
SCHEMBL299841 0.78 ALDH1A1 (0.71) L3MBTL1RXFP1CA12CA9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094649-A2 MATERIALS AND METHODS FOR CO-CRYSTAL CONTROLLED SOLID-STATE SYNTHESIS OF IMIDES AND IMINES University of South Florida (US) 2009-09-02 EP disclosed
WO-2008073613-A2 MATERIALS AND METHODS FOR CO-CRYSTAL CONTROLLED SOLID-STATE SYNTHESIS OF IMIDES AND IMINES UNIVERSITY OF SOUTH FLORIDA (US) 2008-06-19 WO disclosed
US-20080146772-A1 MATERIALS AND METHODS FOR CO-CRYSTAL CONTROLLED SOLID-STATE SYNTHESIS OF IMIDES AND IMINES UNIVERSITY OF SOUTH FLORIDA (US) 2008-06-19 US disclosed
EP-1020446-B1 NAPHTHALIMIDOBENZAMIDE DERIVATIVES TAIHO PHARMACEUTICAL CO LTD (JP) 2006-03-15 EP disclosed
US-6300331-B1 DRUGS AS ANTITUMOR AGENTS OR ANTICARCINOGENIC AGENTS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 US disclosed
EP-1020446-A1 NAPHTHALIMIDOBENZAMIDE DERIVATIVES TAIHO PHARMACEUTICAL CO., LTD. (JP) 2000-07-19 EP disclosed