SCHEMBL17023227

SCHEMBL17023227

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.45
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 4/20 0.42
ALOX15 P16050 3/20 0.42
MAPK1 P28482 3/20 0.42
HSD17B10 Q99714 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 3/20 0.41
LMNA P02545 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
UBE2N P61088 1/20 0.41
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 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) L3MBTL1KMT2AALDH1A1ALOX15MAPK1
SCHEMBL17023229 0.92 L3MBTL1 (0.48) L3MBTL1KMT2AALDH1A1TP53TSHR
SCHEMBL17023233 0.91 KMT2A (0.46) L3MBTL1KMT2AALDH1A1LMNAMEN1
SCHEMBL17023212 0.88 ALDH1A1 (0.49) KMT2AALDH1A1MAPK1TP53LMNA
SCHEMBL17023210 0.88 USP2 (0.41) L3MBTL1KMT2AALDH1A1MAPK1HSD17B10
SCHEMBL1879012 0.85 L3MBTL1 (0.49) L3MBTL1KMT2AALDH1A1ALOX15MAPK1
SCHEMBL17023232 0.85 NPC1 (0.47) L3MBTL1KMT2AALDH1A1TDP1TSHR
SCHEMBL17023217 0.84 LMNA (0.52) KMT2AALDH1A1TP53TSHRLMNA
SCHEMBL17023231 0.84 LMNA (0.46) KMT2AALDH1A1ALOX15MAPK1HSD17B10
SCHEMBL17023215 0.82 KDM4E (0.49) KMT2AALDH1A1HSD17B10MAPTMEN1

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