SCHEMBL9020577

SCHEMBL9020577

CN(C)c1ccc(OCCBr)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APP P05067 10/20 0.54
PTGES O14684 1/20 0.49
HDAC1 Q13547 1/20 0.49
CHKA P35790 1/20 0.49
ALDH1A1 P00352 3/20 0.46
TSHR P16473 3/20 0.46
HSD17B10 Q99714 2/20 0.46
ALOX15 P16050 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
MCL1 Q07820 1/20 0.45
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL8140756 0.82 NPC1 (0.47) ALDH1A1MAPTRAB9A
SCHEMBL1263730 0.81 PTGES (0.68) APPPTGESHDAC1CHKAALDH1A1
SCHEMBL1263098 0.81 ALDH1A1 (0.62) APPPTGESHDAC1CHKAALDH1A1
SCHEMBL19958267 0.81 APP (0.70) APPPTGESHDAC1CHKAALDH1A1
SCHEMBL56046 0.79 HRH3 (0.63) APPALDH1A1KDM4E
SCHEMBL12646538 0.79 APP (0.68) APPPTGESHDAC1CHKAALDH1A1
SCHEMBL11774712 0.79 APP (0.54) APPPTGESHDAC1CHKAALDH1A1
SCHEMBL25363203 0.78 L3MBTL1 (0.48) APPALDH1A1TSHRHSD17B10KDM4E
SCHEMBL595602 0.78 APP (0.61) APPPTGESHDAC1CHKAALDH1A1
SCHEMBL11020409 0.78 APP (0.57) APPPTGESHDAC1CHKAALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119301119-A Novel indenone derivatives and use thereof 淀粉样蛋白解决方案株式会社 2025-01-10 CN disclosed
US-5532138-A Method and kits for determining peroxidatively active catalysts BEHRINGWERKE AG (DE) 1996-07-02 US disclosed
US-5445944-A Reacting with hydrogen donor SYNTEX (U.S.A.) INC. (US) 1995-08-29 US disclosed
US-5332662-A Methods for determining peroxidatively active substances SYNTEX (U.S.A.) INC. (US) 1994-07-26 US disclosed