SCHEMBL17023231

SCHEMBL17023231

COC(=O)Oc1nn(CCc2ccccc2)cc1NC(=O)CSc1ccccc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 3/20 0.41
USP2 O75604 1/20 0.41
MAPK1 P28482 2/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
UBE2N P61088 1/20 0.40

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
SCHEMBL17023221 0.89 L3MBTL1 (0.47) LMNAALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL17023229 0.85 L3MBTL1 (0.48) LMNAALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL17023217 0.85 LMNA (0.52) LMNAALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL1875365 0.85 LMNA (0.52) LMNAALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL17023227 0.84 L3MBTL1 (0.45) LMNAALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL17023233 0.84 KMT2A (0.46) LMNAALDH1A1SMN1; SMN2GAAUSP2
SCHEMBL17023215 0.83 KDM4E (0.49) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL17023210 0.83 USP2 (0.41) LMNAALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL17023232 0.82 NPC1 (0.47) LMNAALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL17023212 0.81 ALDH1A1 (0.49) LMNAALDH1A1SMN1; SMN2MAPTNPC1

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 claimed