SCHEMBL14012738

SCHEMBL14012738

COc1ccc(OCBr)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.73
▸ MEN1 O00255 7/20 0.73
▸ KMT2A Q03164 7/20 0.73
▸ ALDH1A1 P00352 5/20 0.73
▸ KDM4E B2RXH2 5/20 0.73
▸ USP2 O75604 3/20 0.73
▸ TDP1 Q9NUW8 3/20 0.73
▸ DUSP3 P51452 1/20 0.73
▸ RAB9A P51151 6/20 0.61
▸ SMN1; SMN2 Q16637 4/20 0.61
▸ MAPK1 P28482 4/20 0.61
▸ POLB P06746 3/20 0.61
▸ NPSR1 Q6W5P4 2/20 0.61
▸ ADORA2A P29274 2/20 0.61
▸ THRB P10828 2/20 0.61
▸ FGB P02675 1/20 0.61
▸ PPARG P37231 1/20 0.61
▸ NCOA2 Q15596 1/20 0.61
▸ NCOA1 Q15788 1/20 0.61
▸ NPC1 O15118 2/20 0.57

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
SCHEMBL13998834 0.91 MAPT (0.57) MAPTMEN1KMT2AALDH1A1KDM4E
1,4-Dimethoxyanthraquinone SCHEMBL3417221 0.86 MAPT (1.00) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL31495885 0.81 MAPT (0.58) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL29494862 0.79 MAPT (0.79) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL5105540 0.79 MAPT (0.56) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL9846513 0.79 MAPT (0.79) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL6901121 0.77 MAPT (0.81) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL612831 0.77 MAPT (0.74) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL3439640 0.77 MAPT (0.62) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL28916427 0.76 KMT2A (0.79) MAPTMEN1KMT2AALDH1A1KDM4E

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-7465724-B2 Bis-pyrrolo[2,1-c][1,4]benzodiazepine-anthraquinone conjugates and a process for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2008-12-16 — — US disclosed
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