SCHEMBL4358432

SCHEMBL4358432

Cc1ccc([C]=O)c(N)c1C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
TDP2 O95551 1/20 0.32
NSD2 O96028 1/20 0.32
HSP90AA1 P07900 1/20 0.32
PAX8 Q06710 1/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
CYP3A4 P08684 2/20 0.31
TRPA1 O75762 1/20 0.31
ALDH1A1 P00352 3/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
CD44 P16070 1/20 0.30
CASP1 P29466 1/20 0.30

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
SCHEMBL6841077 0.82 TSHR (0.43) POLBNSD2NOS3NOS2ALDH1A1
SCHEMBL2679223 0.78 POLB (0.32) POLB
SCHEMBL2680146 0.78 DAO (0.33)
SCHEMBL329259 0.78 TDP2 (0.36) TDP2NSD2HSP90AA1PAX8CYP3A4
SCHEMBL3356233 0.73 CD44 (0.50) POLBNOS3NOS2CYP3A4ALDH1A1
SCHEMBL21749799 0.73 CD44 (0.34) POLBCYP3A4ALDH1A1TDP1CD44
SCHEMBL9712590 0.73 AR (0.36) TDP2NSD2HSP90AA1PAX8CYP3A4
SCHEMBL9712649 0.73 NCEH1 (0.38) TDP2NSD2HSP90AA1PAX8CYP3A4
SCHEMBL394750 0.72 POLB (0.68) POLBTDP2NSD2HSP90AA1PAX8
SCHEMBL28680385 0.71 POLB (0.38) POLBTDP2NSD2HSP90AA1PAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0373663-A2 Castanospermine esters in the inhibition of tumor metastasis MERRELL DOW PHARMACEUTICALS INC. (US) 1990-06-20 EP claimed
US-4680144-A HAIR CONDITIONERS MALLINCKRODT, INC. (US) 1987-07-14 US claimed
US-7635571-B2 photosenstizer generates singlet oxygen which oxidatively cleaves the linker to form a product which can be detected in a sandwich detection assay; kits SIEMENS HEALTHCARE DIAGNOSTICS PRODUCTS GMBH (DE) 2009-12-22 US disclosed
US-20040175696-A1 Amplified luminescent homogeneous immunoassay SIEMENS HEALTHCARE DIAGNOSTICS PRODUCTS GMBH (DE) 2004-09-09 US disclosed
EP-0373663-A2 Castanospermine esters in the inhibition of tumor metastasis MERRELL DOW PHARMACEUTICALS INC. (US) 1990-06-20 EP disclosed
EP-0110955-A1 BRAIN-SPECIFIC DRUG DELIVERY. UNIV FLORIDA (US) 1984-06-20 EP disclosed
WO-1983003968-A1 BRAIN-SPECIFIC DRUG DELIVERY UNIVERSITY OF FLORIDA (US) 1983-11-24 WO disclosed
EP-0036426-A4 NOVEL PROCESS AND INTERMEDIATES USEFUL IN THE PREPARATION OF SYMPATHOMIMETIC AMINES. INTERX RESEARCH CORP (US) 1983-03-29 EP disclosed
EP-0036426-A1 NOVEL PROCESS AND INTERMEDIATES USEFUL IN THE PREPARATION OF SYMPATHOMIMETIC AMINES. INTERX RESEARCH CORP (US) 1981-09-30 EP disclosed
WO-1981000849-A1 NOVEL PROCESS AND INTERMEDIATES USEFUL IN THE PREPARATION OF SYMPATHOMIMETIC AMINES INTERX RESEARCH CORP (US) 1981-04-02 WO disclosed