SCHEMBL25836249

SCHEMBL25836249

CC(C)(C)c1n[nH]c(-c2ccc(OCc3ccccc3)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.50
PRMT5 O14744 12/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ENPP3 O14638 1/20 0.45
ENPP1 P22413 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
GAA P10253 1/20 0.45
HSD17B10 Q99714 1/20 0.45
DHODH Q02127 1/20 0.45
PTGES O14684 1/20 0.44
ALOX5 P09917 1/20 0.44
LTC4S Q16873 1/20 0.44
GSTP1 P09211 1/20 0.43

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
SCHEMBL21889308 0.77 PRMT5 (0.47) IKBKEPRMT5NPC1RAB9AL3MBTL1
SCHEMBL21914562 0.76 PRMT5 (0.49) IKBKEPRMT5NPC1RAB9AL3MBTL1
SCHEMBL21889198 0.75 PRMT5 (0.57) IKBKEPRMT5PTGESALOX5LTC4S
SCHEMBL21914361 0.74 CHEK2 (0.56) IKBKEPRMT5DHODH
SCHEMBL25836250 0.74 AOC3 (0.55) IKBKEPRMT5NPC1RAB9AL3MBTL1
SCHEMBL21914803 0.73 PRMT5 (0.52) IKBKEPRMT5PTGESALOX5LTC4S
SCHEMBL21914810 0.73 PRMT5 (0.46) IKBKEPRMT5NPC1RAB9AL3MBTL1
SCHEMBL21914579 0.73 PRMT5 (0.52) IKBKEPRMT5PTGESALOX5LTC4S
SCHEMBL12732314 0.72 APP (0.63) RAB9AL3MBTL1ENPP3ENPP1TP53
SCHEMBL23590409 0.72 PRMT5 (0.45) IKBKEPRMT5NPC1RAB9AL3MBTL1

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-3626699-B1 SSAO INHIBITOR SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2023-07-12 EP disclosed