SCHEMBL6977856

SCHEMBL6977856

O=[C]c1ccc(C(=O)O)cc1C(=O)c1cccc(C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
HSD17B10 Q99714 2/20 0.46
CDC25A P30304 1/20 0.46
CDC25B P30305 1/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP2C9 P11712 2/20 0.45
CYP2C8 P10632 1/20 0.45
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CA12 O43570 1/20 0.43
CA6 P23280 1/20 0.43
FOLH1 Q04609 1/20 0.42
POLB P06746 1/20 0.41
SRD5A2 P31213 2/20 0.41
KMO O15229 1/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 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
SCHEMBL7293957 0.82 KDM4E (0.48) KDM4EHSD17B10CDC25ACDC25BTDP1
SCHEMBL8796385 0.82 SRD5A2 (0.55) KDM4ECYP2C9CYP2C8POLBSRD5A2
SCHEMBL7427407 0.76 KMT2A (0.55) KDM4ETDP1L3MBTL1CYP2C9SRD5A2
SCHEMBL2436576 0.75 CES2 (0.50) KDM4EPOLBHPGDMEN1KMT2A
SCHEMBL8012007 0.75 POLB (0.55) TDP1POLBHPGDMEN1KMT2A
SCHEMBL766131 0.75 ATM (0.76) HSD17B10ATMTDP1L3MBTL1CYP2C9
SCHEMBL464994 0.75 KDM4E (0.70) KDM4EHSD17B10CDC25ACDC25BATM
SCHEMBL10640903 0.75 MEN1 (0.59) KDM4EATMTDP1L3MBTL1CYP2C9
SCHEMBL110317 0.74 SRD5A2 (0.74) KDM4EATMTDP1L3MBTL1CYP2C9
SCHEMBL19259379 0.74 TSHR (0.50) KDM4EL3MBTL1CA1CA2CA9

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-1200434-B1 NEW CYTOTOXIC PYRIDO 2,3,4-kl]ACRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE UNIV BARCELONA (ES) 2003-05-14 EP disclosed
US-6559161-B1 Method for treating a mammal affected by a malignant tumour, which comprises administering to a mammal in need of such treatment a therapeutically effective amount of a compound of formula (I), a pharmaceutically acceptable salt UNIVERSIDAD DE BARCELONA (ES) 2003-05-06 US disclosed
EP-1200434-A1 NEW CYTOTOXIC PYRIDO 2,3,4-kl]ACRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE Universidad de Barcelona (ES) 2002-05-02 EP disclosed
WO-2001009133-A1 NEW CYTOTOXIC PYRIDO[2,3,4-kl]ACRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE UNIVERSIDAD DE BARCELONA (ES) 2001-02-08 WO disclosed