SCHEMBL8101657

SCHEMBL8101657

C=CC(Br)NC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.54
ATM Q13315 1/20 0.50
TGM2 P21980 1/20 0.50
CTSK P43235 3/20 0.48
TACR1 P25103 2/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CTSL P07711 2/20 0.47
CTSS P25774 2/20 0.47
ELANE P08246 1/20 0.47
CTSB P07858 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47

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
SCHEMBL7405303 0.83 CTRB1 (0.55) CTRB1ATMTGM2CTSKTACR1
SCHEMBL8173806 0.82 CTRB1 (0.54) CTRB1ATMTGM2CTSKTACR1
SCHEMBL14769904 0.82 CTRB1 (0.54) CTRB1ATMTGM2CTSKTACR1
SCHEMBL937972 0.82 ATM (0.57) CTRB1ATMCTSKCTSLCTSS
SCHEMBL7372388 0.82 CTRB1 (0.54) CTRB1ATMTGM2CTSKTACR1
SCHEMBL22118319 0.82 CTRB1 (0.54) CTRB1ATMTGM2CTSKTACR1
SCHEMBL937973 0.82 ATM (0.57) CTRB1ATMCTSKCTSLCTSS
SCHEMBL6220038 0.81 CTRB1 (0.59) CTRB1CTSKTACR1CTSLCTSS
SCHEMBL6712580 0.81 CTRB1 (0.59) CTRB1CTSKTACR1CTSLCTSS
SCHEMBL10508932 0.81 CTRB1 (0.59) CTRB1CTSKTACR1CTSLCTSS

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
EP-0734526-A4 MALEIMIDE ADDUCT CONJUGATES OF PROCAINAMIDE AND NAPA ROCHE DIAGNOSTICS CORP (US) 2000-03-29 EP disclosed
EP-0734526-A1 MALEIMIDE ADDUCT CONJUGATES OF PROCAINAMIDE AND NAPA BOEHRINGER MANNHEIM CORPORATION (US) 1996-10-02 EP disclosed
US-5439798-A Immunoassay; competitive binding; quantitative analysis BOEHRINGER MANNHEIM CORPORATION (US) 1995-08-08 US disclosed
WO-1995016894-A1 MALEIMIDE ADDUCT CONJUGATES OF PROCAINAMIDE AND NAPA BOEHRINGER MANNHEIM CORPORATION (US) 1995-06-22 WO disclosed