SCHEMBL17023234

SCHEMBL17023234

O=C(CSc1ccc(Br)cc1)Nc1cn(CCc2ccccc2)nc1OC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
LMNA P02545 1/20 0.48
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
TNF P01375 1/20 0.39
PLA2G1B P04054 1/20 0.39
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39
ATG4B Q9Y4P1 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
SCHEMBL17023222 0.93 KMT2A (0.47) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL17023233 0.92 KMT2A (0.46) KMT2AMEN1LMNASMN1; SMN2L3MBTL1
SCHEMBL1871855 0.85 KMT2A (0.48) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL1875570 0.85 KMT2A (0.48) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL21225109 0.84 KMT2A (0.47) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL21225118 0.84 KMT2A (0.47) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL21224988 0.84 KMT2A (0.47) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL17023221 0.84 L3MBTL1 (0.47) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL1876938 0.84 KMT2A (0.48) KMT2AMEN1LMNASMN1; SMN2L3MBTL1
SCHEMBL1876346 0.83 KMT2A (0.47) KMT2AMEN1LMNANPC1RAB9A

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