SCHEMBL27450577

SCHEMBL27450577

O=C(O)Cc1cccc2cc3ccc(Br)cc3nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ABCB11 O95342 1/20 0.40
LMNA P02545 1/20 0.40
PTGS1 P23219 1/20 0.40
ADORA1 P30542 1/20 0.40
PTGS2 P35354 1/20 0.40
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
AKR1B1 P15121 3/20 0.37
TERT O14746 2/20 0.36
AURKA O14965 2/20 0.36
AURKB Q96GD4 2/20 0.36
KDR P35968 1/20 0.36
GRIK1 P39086 1/20 0.35
BACE1 P56817 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
SCHEMBL27450149 0.84 ALDH1A1 (0.60) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL27419115 0.80 KDM4E (0.41) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL7570690 0.78 ALDH1A1 (0.49) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL3587711 0.76 TDP1 (0.64) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL24597630 0.75 ALDH1A1 (0.43) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL27418513 0.74 PARP1 (0.51) KDM4EALDH1A1AURKABACE1
SCHEMBL27450576 0.71 KMT2A (0.42) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL7570787 0.71 ABCG2 (0.49) KMT2AKDM4EALDH1A1CYP1A2HTT
SCHEMBL30009200 0.71 BACE1 (0.46) KDM4ECYP1A2CYP2C19HTTAKR1B1
SCHEMBL13739658 0.70 PTGDR2 (0.54) MEN1KMT2AKDM4EALDH1A1TDP1

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
CN-1116285-C Bis(acridinecarboxamide) and Bis(phenazinecarboxamide) as antitumour agents XENOVA LTD (GB) 2003-07-30 CN disclosed
CN-1240430-A Bis(acridinecarboxamide) and Bis(phenazinecarboxamide) as antitumour agents XENOVA LTD (GB) 2000-01-05 CN disclosed