SCHEMBL4431580

SCHEMBL4431580

CC(I)OC(=O)c1cc(S(=O)(=O)c2ccccc2)cc2sc3ccccc3c(=O)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.41
MAOB P27338 8/20 0.41
MAPT P10636 4/20 0.39
ALDH1A1 P00352 4/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
MMP12 P39900 2/20 0.36
MMP13 P45452 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
HCRTR1 O43613 1/20 0.35
LMNA P02545 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL51954 0.83 GABRP (0.44) MAOAMAOBMAPTALDH1A1POLB
SCHEMBL30119823 0.83 GABRP (0.44) MAOAMAOBMAPTALDH1A1POLB
SCHEMBL3244937 0.82 MAOA (0.45) MAOAMAOBMAPTALDH1A1POLB
SCHEMBL3635172 0.82 MAOB (0.45) MAOAMAOBMAPTALDH1A1POLB
SCHEMBL10940641 0.80 MAOA (0.42) MAOAMAOBMAPTALDH1A1POLB
SCHEMBL3246703 0.79 MAOA (0.46) MAOAMAOBMAPTALDH1A1POLB
SCHEMBL29052637 0.79 GABRP (0.40) MAOAMAOBMAPTALDH1A1POLB
SCHEMBL10936288 0.78 MAOA (0.38) MAOAMAOBMAPTALDH1A1POLB
SCHEMBL11169681 0.72 GABRP (0.46) MAOAMAOBMAPTALDH1A1POLB
SCHEMBL3251039 0.72 MAOA (0.36) MAOAMAOBMAPTALDH1A1POLB

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
EP-2121323-A1 HYDROXAMIC ESTERS AS PHOTOINITIATORS Lamberti Spa (IT) 2009-11-25 EP disclosed
WO-2008104436-A1 HYDROXAMIC ESTERS AS PHOTOINITIATORS LAMBERTI SPA (IT) 2008-09-04 WO disclosed