SCHEMBL3993453

SCHEMBL3993453

O=C(Cl)c1ccc(=O)[nH]c1.O=C(O)c1cnccc1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
APOBEC3B Q9UH17 1/20 0.37
KDM4C Q9H3R0 3/20 0.36
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4D Q6B0I6 2/20 0.36
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM6B O15054 1/20 0.36
KDM4A O75164 1/20 0.36
THRB P10828 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PARP1 P09874 1/20 0.35
CSNK2A1 P68400 1/20 0.35
EPHX2 P34913 1/20 0.32
KDM5A P29375 2/20 0.32
ROCK2 O75116 1/20 0.32

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
SCHEMBL852353 0.76 KDM4C (0.55) KDM4CKMT2AL3MBTL1KDM4DMEN1
SCHEMBL30804202 0.76 KDM4C (0.55) KDM4CKMT2AL3MBTL1KDM4DMEN1
SCHEMBL4004484 0.76 KMT2A (0.45) KMT2AL3MBTL1MEN1ALDH1A1EPHX2
SCHEMBL4768904 0.74 KDM4C (0.53) KDM4CKMT2AL3MBTL1KDM4DMEN1
SCHEMBL11590329 0.71 TDP1 (0.42) KDM4CKMT2AL3MBTL1KDM4DMEN1
SCHEMBL11819131 0.67 KDM4C (0.46) KDM4CKMT2AL3MBTL1KDM4DMEN1
SCHEMBL437592 0.67 TP53 (0.50) KMT2AL3MBTL1MEN1MAPTALDH1A1
SCHEMBL27711603 0.64 KDM4C (0.42) KDM4CKMT2AL3MBTL1KDM4DMEN1
SCHEMBL11704503 0.63 CA1 (0.59) KMT2AL3MBTL1MEN1KDM4EMAPT
SCHEMBL28854487 0.62 KMT2A (0.57) KDM4CKMT2AKDM4DMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675552-A4 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LTD (GB) 2009-06-03 EP disclosed
EP-1675552-A2 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-07-05 EP disclosed
WO-2005037197-A2 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-04-28 WO disclosed