SCHEMBL17023210

SCHEMBL17023210

COC(=O)Oc1nn(CCc2ccccc2)cc1NC(=O)CSc1ccc(C)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 3/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 4/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 2/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
UBE2N P61088 1/20 0.40
MAPT P10636 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL17023229 0.90 L3MBTL1 (0.48) USP2GAALMNARAB9ANPSR1
SCHEMBL17023221 0.90 L3MBTL1 (0.47) USP2GAALMNARAB9ANPSR1
SCHEMBL17023227 0.88 L3MBTL1 (0.45) USP2GAALMNANPSR1TSHR
SCHEMBL17023233 0.88 KMT2A (0.46) USP2GAALMNAALDH1A1MEN1
SCHEMBL17023232 0.87 NPC1 (0.47) LMNARAB9ANPSR1TSHRALDH1A1
SCHEMBL1875036 0.86 ALDH1A1 (0.44) USP2GAALMNARAB9ANPSR1
SCHEMBL17023212 0.84 ALDH1A1 (0.49) LMNARAB9ANPSR1MAPK1ALDH1A1
SCHEMBL17023217 0.83 LMNA (0.52) LMNARAB9ATSHRALDH1A1MEN1
SCHEMBL17023231 0.83 LMNA (0.46) USP2GAALMNARAB9ANPSR1
SCHEMBL17023215 0.81 KDM4E (0.49) GAARAB9AHSD17B10ALDH1A1MEN1

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