SCHEMBL4355031

SCHEMBL4355031

CC(O)c1c2ccccc2c(Br)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.36
POLB P06746 1/20 0.34
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
UGT2B7 P16662 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
EYA3 Q99504 1/20 0.33
NCEH1 Q6PIU2 1/20 0.33
ADRA2A P08913 1/20 0.31
ADRA2C P18825 1/20 0.31
GAA P10253 1/20 0.31
HIF1A Q16665 1/20 0.31
KDM4E B2RXH2 1/20 0.31
RHEB Q15382 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL8671624 0.88 RECQL (0.41) RECQLLMNAALDH1A1UGT2B7HPGD
SCHEMBL3414680 0.81 KIF11 (0.35) POLBALDH1A1NCEH1CYP1A2
SCHEMBL28172974 0.79 CYP3A4 (0.39) RECQLLMNAALDH1A1UGT2B7HPGD
SCHEMBL18910955 0.75 ALDH1A1 (0.48) LMNAALDH1A1HPGDTSHRMAPK1
SCHEMBL8376182 0.75 UGT2B7 (0.50) RECQLPOLBLMNAUGT2B7TSHR
SCHEMBL17539919 0.74 TSHR (0.41) LMNAALDH1A1HPGDTSHRGAA
SCHEMBL18905343 0.74 ALDH1A1 (0.33) RECQLLMNAALDH1A1HPGDTSHR
SCHEMBL28511 0.74 ALDH1A1 (0.44) POLBALDH1A1TSHRMAPK1GAA
SCHEMBL29352635 0.74 ALDH1A1 (0.44) POLBALDH1A1TSHRMAPK1GAA
SCHEMBL240650 0.73 UGT2B7 (0.47) POLBALDH1A1UGT2B7HPGDHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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