SCHEMBL7328383

SCHEMBL7328383

O=CCCN1C(=O)c2cccc3c(Br)ccc(c23)C1=O

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 18/20 0.65
ALDH1A1 P00352 2/20 0.64
POLB P06746 2/20 0.64
RXFP1 Q9HBX9 1/20 0.64
KDM4E B2RXH2 1/20 0.62
MEN1 O00255 1/20 0.62
NPC1 O15118 1/20 0.62
LMNA P02545 1/20 0.62
MAPT P10636 1/20 0.62
PABPC1 P11940 1/20 0.62
KMT2A Q03164 1/20 0.62

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
SCHEMBL10262127 0.84 CYP1B1 (0.67) CYP1B1ALDH1A1POLBRXFP1KDM4E
SCHEMBL26243132 0.84 CYP1B1 (0.70) CYP1B1ALDH1A1POLBRXFP1KDM4E
SCHEMBL28094481 0.82 CYP1B1 (0.68) CYP1B1ALDH1A1POLBRXFP1KDM4E
SCHEMBL29493708 0.82 CYP1B1 (0.68) CYP1B1ALDH1A1POLBRXFP1KDM4E
SCHEMBL10261817 0.82 CYP1B1 (0.68) CYP1B1ALDH1A1POLBRXFP1KDM4E
SCHEMBL20419197 0.82 CYP1B1 (0.78) CYP1B1ALDH1A1POLBRXFP1KDM4E
SCHEMBL29697183 0.82 CYP1B1 (0.78) CYP1B1ALDH1A1POLBRXFP1KDM4E
SCHEMBL30353799 0.82 CYP1B1 (0.68) CYP1B1ALDH1A1POLBRXFP1KDM4E
SCHEMBL28781801 0.82 CYP1B1 (0.68) CYP1B1ALDH1A1POLBRXFP1KDM4E
SCHEMBL10261574 0.82 CYP1B1 (0.77) CYP1B1ALDH1A1POLBRXFP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114181255-A Microenvironment polarity activated mitochondrial targeting probe and application thereof 山东第一医科大学(山东省医学科学院) 2022-03-15 CN claimed
CN-114181255-A Microenvironment polarity activated mitochondrial targeting probe and application thereof 山东第一医科大学(山东省医学科学院) 2022-03-15 CN disclosed
CN-108276442-B Mitochondrial targeting formaldehyde fluorescent probe and preparation method and application thereof 济南大学 2020-07-07 CN disclosed
EP-0612324-A1 PHOSPHONOPEPTIDES WITH COLLAGENASE INHIBITING ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1994-08-31 EP disclosed
WO-1993009136-A1 PHOSPHONOPEPTIDES WITH COLLAGENASE INHIBITING ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1993-05-13 WO disclosed