SCHEMBL7748781

SCHEMBL7748781

N=C(N)N/N=C/c1cc(O)ccc1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
KLF5 Q13887 1/20 0.51
MAPT P10636 5/20 0.47
LMNA P02545 3/20 0.47
MAPK1 P28482 1/20 0.47
ALPL P05186 1/20 0.43
POLB P06746 1/20 0.43
ALPI P09923 1/20 0.43
ALPG P10696 1/20 0.43
EIF4H Q15056 1/20 0.43
KDM4E B2RXH2 5/20 0.42
GAA P10253 4/20 0.42
ALDH1A1 P00352 2/20 0.39
BACE1 P56817 1/20 0.38
HPGD P15428 2/20 0.37
HTT P42858 2/20 0.37

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
SCHEMBL7748785 1.00 KMT2A (0.51) KMT2AMEN1L3MBTL1NPC1RAB9A
SCHEMBL6743212 0.84 KMT2A (0.51) KMT2AMEN1L3MBTL1NPC1RAB9A
SCHEMBL6743215 0.84 KMT2A (0.51) KMT2AMEN1L3MBTL1NPC1RAB9A
SCHEMBL16993727 0.83 MAPT (0.43) KMT2AMEN1L3MBTL1NPC1RAB9A
SCHEMBL16993729 0.83 MAPT (0.43) KMT2AMEN1L3MBTL1NPC1RAB9A
SCHEMBL6573496 0.83 KMT2A (0.44) KMT2AMEN1L3MBTL1NPC1RAB9A
Hydrochloric Acid SCHEMBL5702944 0.82 RAB9A (0.42) KMT2AMEN1L3MBTL1NPC1RAB9A
Hydrochloric Acid SCHEMBL5702947 0.82 RAB9A (0.42) KMT2AMEN1L3MBTL1NPC1RAB9A
Hydrochloric Acid SCHEMBL7266202 0.81 KMT2A (0.43) KMT2AMEN1L3MBTL1NPC1RAB9A
SCHEMBL7747561 0.81 MEN1 (0.66) KMT2AMEN1L3MBTL1NPC1RAB9A

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
WO-2001025192-A1 GUANIDINE DERIVATIVES AND THEIR USE IN THE PRODUCTION OF A MEDICAMENT FOR BLOCKING XANTHINE OXIDASE/DEHYDROGENASE MELACURE THERAPEUTICS AB (SE) 2001-04-12 WO claimed
WO-2001025192-A1 GUANIDINE DERIVATIVES AND THEIR USE IN THE PRODUCTION OF A MEDICAMENT FOR BLOCKING XANTHINE OXIDASE/DEHYDROGENASE MELACURE THERAPEUTICS AB (SE) 2001-04-12 WO disclosed