SCHEMBL8073174

SCHEMBL8073174

N=C(N)c1nc2c(s1)-c1nc(N)sc1CC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.37
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
FBP1 P09467 8/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
MPI P34949 2/20 0.33
MAPK1 P28482 2/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 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
SCHEMBL7476595 0.79 PIK3CA (0.40) ADORA1APOBEC3AAPOBEC3GFBP1ALDH1A1
SCHEMBL8558278 0.67 ALDH1A1 (0.57) ALDH1A1MAPK1NPC1TP53POLB
Bromide SCHEMBL8070341 0.66 ALDH1A1 (0.56) ALDH1A1MAPK1NPC1TP53POLB
SCHEMBL12931540 0.65 PIK3CG (0.47) ADORA1APOBEC3AAPOBEC3GALDH1A1MAPK1
SCHEMBL8073165 0.63 KDM4E (0.33) ALDH1A1KDM4EMAPTPOLBHPGD
SCHEMBL961869 0.62 ADORA1 (0.41) ADORA1APOBEC3AAPOBEC3GFBP1ALDH1A1
SCHEMBL12931547 0.62 PIK3CD (0.52) APOBEC3AAPOBEC3GALDH1A1MAPTMAPK1
Bromide SCHEMBL3384900 0.61 ADORA1 (0.41) ADORA1APOBEC3AAPOBEC3GFBP1ALDH1A1
SCHEMBL12931545 0.61 PIK3CA (0.37) APOBEC3AAPOBEC3GALDH1A1MAPK1RECQL
SCHEMBL8059332 0.60

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