SCHEMBL8073165

SCHEMBL8073165

N=C(N)c1nc2c(s1)C(=O)C(Br)CC2

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
BLM P54132 1/20 0.33
GFER P55789 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ELANE P08246 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
SCHEMBL7478299 0.79 ALDH1A1 (0.34) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL4597273 0.76 ALDH1A1 (0.50) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL8558278 0.72 ALDH1A1 (0.57) ALDH1A1POLBRAB9A
Bromide SCHEMBL6118973 0.72 KDM4E (0.35) KDM4EMEN1ALDH1A1POLBMAPT
Bromide SCHEMBL8070341 0.71 ALDH1A1 (0.56) ALDH1A1POLBRAB9A
SCHEMBL1052638 0.69 LMNA (0.42) KDM4EALDH1A1POLBMAPTHPGD
SCHEMBL8073174 0.63 ADORA1 (0.37) KDM4EALDH1A1POLBMAPTHPGD
SCHEMBL13125920 0.59 ALDH1A1 (0.45) ALDH1A1POLBMAPT
SCHEMBL3597824 0.55 ELANE (0.43) ALDH1A1MAPTTDP1ELANE
SCHEMBL16320122 0.54

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
US-6043373-A ANTIULCER AGENT YUNGJIN PHARMACEUTICAL CO., LTD. (KR) 2000-03-28 US disclosed
EP-0843681-A1 HETEROCYCLE-FUSED THIAZOLE DERIVATIVES YUNGJIN PHARMACEUTICAL CO., LTD. (KR) 1998-05-27 EP disclosed
WO-1997003076-A1 HETEROCYCLE-FUSED THIAZOLE DERIVATIVES YUNGJIN PHARMACEUTICAL CO., LTD. (KR) 1997-01-30 WO disclosed