SCHEMBL7571570

SCHEMBL7571570

COC(=O)c1ccccc1Nc1cc(Br)ccc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
ALOX15 P16050 1/20 0.57
AKR1C3 P42330 5/20 0.56
AKR1C2 P52895 5/20 0.56
AKR1B10 O60218 2/20 0.56
AKR1B1 P15121 2/20 0.56
AKR1C1 Q04828 2/20 0.56
AKR1C4 P17516 1/20 0.56
KDM4E B2RXH2 3/20 0.52
APAF1 O14727 1/20 0.52
RECQL P46063 1/20 0.52
CASP6 P55212 1/20 0.52
CACNA1B Q00975 1/20 0.52
APBA1 Q02410 1/20 0.52
MCL1 Q07820 1/20 0.52
CASP8 Q14790 1/20 0.52
CDC25B P30305 2/20 0.50
ALDH1A1 P00352 2/20 0.50
GAA P10253 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL11604475 0.90 AKR1C3 (0.62) MAPTAKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL7034926 0.87 MAPT (0.74) MAPTALOX15AKR1C3AKR1C2AKR1B10
SCHEMBL13425534 0.84 MAPT (0.59) MAPTALOX15AKR1C3AKR1C2AKR1B10
SCHEMBL17291893 0.84 MAPT (0.67) MAPTALOX15AKR1C3AKR1C2KDM4E
SCHEMBL2444413 0.83 MAPT (0.57) MAPTALOX15AKR1C3AKR1C2AKR1B10
SCHEMBL7568048 0.81 MAPT (0.51) MAPTALOX15KDM4ERECQLALDH1A1
Dimethyl Phthalate SCHEMBL29269027 0.81 ALDH1A1 (0.56) AKR1C3KDM4EALDH1A1GAAABCG2
SCHEMBL11609447 0.81 FABP4 (0.59) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C1
SCHEMBL7592514 0.80 TAS2R14 (0.70) MAPTALOX15AKR1C3AKR1C2AKR1B10
SCHEMBL19065779 0.80 MAPT (0.79) MAPTALOX15KDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934278-B1 BIS(ACRIDINECARBOXAMIDE) AND BIS(PHENAZINECARBOXAMIDE) AS ANTITUMOUR AGENTS XENOVA LTD (GB) 2002-09-04 EP disclosed
US-6114332-A BACTERICIDES XENOVA LIMITED (GB) 2000-09-05 US disclosed
EP-0934278-A1 BIS(ACRIDINECARBOXAMIDE) AND BIS(PHENAZINECARBOXAMIDE) AS ANTITUMOUR AGENTS XENOVA LIMITED (GB) 1999-08-11 EP disclosed
WO-1998017650-A1 BIS(ACRIDINECARBOXAMIDE) AND BIS(PHENAZINECARBOXAMIDE) AS ANTITUMOUR AGENTS XENOVA LIMITED (GB) 1998-04-30 WO disclosed