SCHEMBL17023214

SCHEMBL17023214

COC(=O)Oc1nn(CCc2ccccc2)cc1NC(=O)CNc1ccc(Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.40
ADORA1 P30542 5/20 0.40
ADORA2A P29274 4/20 0.40
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.38
MGLL Q99685 1/20 0.38
HDAC1 Q13547 1/20 0.38
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
FPR2 P25090 2/20 0.35
FPR1 P21462 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL17023223 0.85 GAA (0.48) ADORA3ADORA1ADORA2AMEN1KMT2A
SCHEMBL1876493 0.85 ADORA3 (0.45) ADORA3ADORA1ADORA2AMEN1KMT2A
SCHEMBL17023233 0.84 KMT2A (0.46) ADORA3ADORA1ADORA2AMEN1KMT2A
SCHEMBL17023215 0.83 KDM4E (0.49) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL17023221 0.79 L3MBTL1 (0.47) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL17023217 0.76 LMNA (0.52) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL17023229 0.76 L3MBTL1 (0.48) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL17023231 0.76 LMNA (0.46) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL17023234 0.76 KMT2A (0.48) ADORA3ADORA1ADORA2AMEN1KMT2A
SCHEMBL17023227 0.75 L3MBTL1 (0.45) MEN1KMT2AALDH1A1MAPTLMNA

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