SCHEMBL17023233

SCHEMBL17023233

COC(=O)Oc1nn(CCc2ccccc2)cc1NC(=O)CSc1ccc(Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
HTT P42858 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 0.93 L3MBTL1 (0.47) KMT2AMEN1LMNAL3MBTL1SMN1; SMN2
SCHEMBL17023229 0.92 L3MBTL1 (0.48) KMT2AMEN1LMNAL3MBTL1SMN1; SMN2
SCHEMBL17023234 0.92 KMT2A (0.48) KMT2AMEN1LMNAL3MBTL1SMN1; SMN2
SCHEMBL17023227 0.91 L3MBTL1 (0.45) KMT2AMEN1LMNAL3MBTL1SMN1; SMN2
SCHEMBL17023222 0.90 KMT2A (0.47) KMT2AMEN1LMNAL3MBTL1SMN1; SMN2
SCHEMBL17023212 0.88 ALDH1A1 (0.49) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL17023210 0.88 USP2 (0.41) KMT2AMEN1LMNAL3MBTL1SMN1; SMN2
SCHEMBL1876938 0.85 KMT2A (0.48) KMT2AMEN1LMNAL3MBTL1SMN1; SMN2
SCHEMBL17023232 0.85 NPC1 (0.47) KMT2AMEN1LMNAL3MBTL1SMN1; SMN2
SCHEMBL1871855 0.85 KMT2A (0.48) KMT2AMEN1LMNAL3MBTL1SMN1; SMN2

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