SCHEMBL17023223

SCHEMBL17023223

COC(=O)Oc1nn(CCc2ccccc2)cc1NC(=O)COc1ccc(Br)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 2/20 0.48
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RECQL P46063 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TP53 P04637 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 1/20 0.41
MAPT P10636 1/20 0.41
SGMS1 Q86VZ5 1/20 0.41

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
SCHEMBL17023214 0.85 ADORA3 (0.40) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL1880366 0.85 MEN1 (0.50) GAAMEN1KMT2APOLBMAPK1
SCHEMBL17023233 0.84 KMT2A (0.46) GAAMEN1KMT2AALDH1A1LMNA
SCHEMBL23005604 0.84 MEN1 (0.53) GAAMEN1KMT2APOLBMAPK1
SCHEMBL17023215 0.83 KDM4E (0.49) GAAMEN1KMT2APOLBALDH1A1
SCHEMBL17023221 0.79 L3MBTL1 (0.47) GAAMEN1KMT2AMAPK1ALDH1A1
SCHEMBL17023217 0.78 LMNA (0.52) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL17023213 0.76 ADORA3 (0.35) GAAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL17023228 0.76 ALDH1A1 (0.39) MEN1KMT2APOLBMAPK1ALDH1A1
SCHEMBL17023231 0.76 LMNA (0.46) GAAMEN1KMT2AMAPK1ALDH1A1

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