SCHEMBL4536783

SCHEMBL4536783

Cc1nn(Br)nc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
PKM P14618 2/20 0.42
MAPK1 P28482 1/20 0.40
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
KAT2B Q92831 1/20 0.34
ALDH1A1 P00352 4/20 0.34
APOBEC3A P31941 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
TP53 P04637 1/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL20600392 0.70 NPC1 (0.44) KDM4EPKMMAPK1MEN1KMT2A
SCHEMBL316035 0.66 KDM4E (0.75) KDM4EPKMMAPK1MEN1KMT2A
Hydrochloric Acid SCHEMBL19118816 0.65 KDM4E (0.73) KDM4EPKMMAPK1MEN1KMT2A
SCHEMBL6312708 0.65 PKM (0.71) KDM4EPKMMAPK1MEN1KMT2A
SCHEMBL3748827 0.65 PKM (0.54) KDM4EPKMMAPK1MEN1KMT2A
SCHEMBL4775643 0.65 KDM4E (0.64) KDM4EPKMMAPK1MEN1KMT2A
SCHEMBL352388 0.64 ALDH1A1 (0.46) KDM4EPKMTDP1ALDH1A1HCAR2
SCHEMBL2168269 0.64 CA12 (0.42) KDM4EPKMTDP1ALDH1A1HCAR2
SCHEMBL29415465 0.64 ALDH1A1 (0.46) KDM4EPKMTDP1ALDH1A1HCAR2
SCHEMBL29248881 0.62 LMNA (0.46) TDP1LMNAALDH1A1APOBEC3ACTDSP1

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
EP-2029572-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2009-03-04 EP disclosed
WO-2007143597-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-12-13 WO disclosed