SCHEMBL17023222

SCHEMBL17023222

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

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA2 P00918 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
TP53 P04637 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL17023234 0.93 KMT2A (0.48) KMT2AMEN1LMNASMN1; SMN2NPC1
SCHEMBL17023233 0.90 KMT2A (0.46) KMT2AMEN1LMNASMN1; SMN2L3MBTL1
SCHEMBL1876346 0.86 KMT2A (0.47) KMT2AMEN1LMNASMN1; SMN2NPC1
SCHEMBL1871855 0.84 KMT2A (0.48) KMT2AMEN1LMNASMN1; SMN2NPC1
SCHEMBL1875570 0.84 KMT2A (0.48) KMT2AMEN1LMNASMN1; SMN2NPC1
SCHEMBL21225109 0.83 KMT2A (0.47) KMT2AMEN1LMNASMN1; SMN2NPC1
SCHEMBL21225118 0.83 KMT2A (0.47) KMT2AMEN1LMNASMN1; SMN2NPC1
SCHEMBL21224988 0.83 KMT2A (0.47) KMT2AMEN1LMNASMN1; SMN2NPC1
SCHEMBL17023221 0.83 L3MBTL1 (0.47) KMT2AMEN1LMNASMN1; SMN2NPC1
SCHEMBL1876938 0.82 KMT2A (0.48) KMT2AMEN1LMNASMN1; SMN2L3MBTL1

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