SCHEMBL8020675

SCHEMBL8020675

COCOc1cccnc1C(=O)c1cccc(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 5/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 2/20 0.41
RAB9A P51151 5/20 0.41
AGTR1 P30556 1/20 0.40
OPRK1 P41145 1/20 0.40
MAPK1 P28482 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL8709054 0.82 CYP3A4 (0.47) ALDH1A1MAPTKDM4ETSHRCYP2C19
SCHEMBL8024858 0.82 ALDH1A1 (0.39) NPC1KMT2AMEN1ALDH1A1MAPT
SCHEMBL8020333 0.79 XDH (0.45) NPC1ALDH1A1RAB9ACASP3SENP8
SCHEMBL7361925 0.77 TDP1 (0.49) TDP1NPC1KMT2AMEN1ALDH1A1
SCHEMBL8027078 0.77 TLR7 (0.50) TDP1NPC1KMT2AMEN1ALDH1A1
SCHEMBL8021145 0.76 KDM4E (0.40) NPC1KMT2AMEN1ALDH1A1MAPT
SCHEMBL8715277 0.75 CLCN2 (0.38) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL8709579 0.75 KDM4E (0.38) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL8710246 0.75 XDH (0.40) NPC1ALDH1A1MAPTRAB9ACASP3
SCHEMBL7364613 0.74 TDP1 (0.49) TDP1NPC1KMT2AMEN1ALDH1A1

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-0802187-B1 Hydroxypyridine derivatives, their production and their pharmaceutical use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-02-16 EP disclosed
US-5891895-A POTASSIUM CHANNEL MODULATORS; ANGINA PECTORIS; HYPERTENSIVEAGENTS; CARDIOVASCULAR, RESPIRATORY SYSTEM, BRAIN, GASTROINTESTINAL AND UROGENITAL DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-04-06 US disclosed
EP-0802187-A1 Hydroxypyridine derivatives, their production and their pharmaceutical use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-22 EP disclosed