SCHEMBL17023211

SCHEMBL17023211

O=C(C[S+]([O-])c1ccccn1)Nc1cn(CCc2ccccc2)nc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 0.37
ADORA2A P29274 8/20 0.37
ADORA1 P30542 8/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HCAR2 Q8TDS4 2/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
KDM6B O15054 2/20 0.36
KDM4C Q9H3R0 2/20 0.36
KDM4E B2RXH2 2/20 0.36
KDM4A O75164 1/20 0.36
KDM5C P41229 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
KDM3A Q9Y4C1 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4D Q6B0I6 1/20 0.34
EGLN3 Q9H6Z9 1/20 0.34

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
SCHEMBL1879388 0.91 ADORA3 (0.40) ADORA3ADORA2AADORA1MEN1KMT2A
SCHEMBL17023213 0.83 ADORA3 (0.35) ADORA3ADORA2AADORA1MEN1KMT2A
SCHEMBL23005604 0.73 MEN1 (0.53) ADORA3ADORA2AADORA1MEN1KMT2A
SCHEMBL1874546 0.73 LMNA (0.59) MEN1KMT2AALDH1A1KDM4ENPC1
SCHEMBL21225109 0.72 KMT2A (0.47) ADORA3ADORA2AADORA1MEN1KMT2A
SCHEMBL1878731 0.71 ADORA3 (0.39) ADORA3ADORA2AADORA1ALDH1A1KDM4E
SCHEMBL1878308 0.71 KDM4E (0.57) ADORA3ADORA2AADORA1MEN1KMT2A
SCHEMBL21236712 0.71 ADORA2A (0.44) ADORA3ADORA2AADORA1KDM6BKDM4C
SCHEMBL1875570 0.71 KMT2A (0.48) ADORA3ADORA2AADORA1MEN1KMT2A
SCHEMBL1878740 0.70 ADORA3 (0.45) ADORA3ADORA2AADORA1MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2059503-B1 AMINOPYRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING ISCHEMIC DISEASES CONTAINING THE SAME KOREA RES INST CHEM TECH (KR) 2015-08-26 EP disclosed