SCHEMBL852095

SCHEMBL852095

NC(=O)c1cccc2sc3ccccc3c(=O)c12.O=c1c2ccccc2sc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
ALDH1A1 P00352 7/20 0.47
GLA P06280 1/20 0.47
LIMK1 P53667 2/20 0.45
IKBKB O14920 1/20 0.45
MAPT P10636 7/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
HPGD P15428 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 3/20 0.44
GAA P10253 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 5/20 0.44
HCRTR1 O43613 2/20 0.44

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
SCHEMBL3257120 0.98 MAOA (0.49) MAOAMAOBALDH1A1GLALIMK1
SCHEMBL7115218 0.87 LIMK1 (0.50) ALDH1A1GLALIMK1IKBKBMAPT
SCHEMBL21624239 0.85 MAOA (0.51) MAOAMAOBALDH1A1MAPTNPC1
Hydrochloric Acid SCHEMBL7420697 0.85 LIMK1 (0.49) ALDH1A1GLALIMK1IKBKBMAPT
SCHEMBL2021523 0.84 MAOA (0.50) MAOAMAOBALDH1A1MAPTNPC1
SCHEMBL3383508 0.83 ALDH1A1 (0.47) MAOAMAOBALDH1A1GLALIMK1
SCHEMBL30835138 0.83 MAPT (0.49) MAOAMAOBALDH1A1MAPTNPC1
SCHEMBL9291222 0.83 MAOB (0.49) MAOAMAOBALDH1A1MAPTNPC1
SCHEMBL10793109 0.83 MAPT (0.49) MAOAMAOBALDH1A1MAPTNPC1
SCHEMBL28824618 0.82 MAOA (0.49) MAOAMAOBALDH1A1GLALIMK1

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-2433927-B1 KETOXIME ESTER PHOTOINITIATOR CHANGZHOU TRONLY NEW ELECTRONIC MATERIALS CO LTD (CN) 2013-11-20 EP disclosed
EP-2407456-B1 CARBAZOLE OXIME ESTER PHOTOINITIATOR CHANGZHOU TRONLY NEW ELECTRONIC MATERIALS CO LTD (CN) 2013-08-28 EP disclosed
EP-2433927-A1 KETOXIME ESTER PHOTOINITIATOR Changzhou Tronly New Electronic Materials Co., Ltd (CN) 2012-03-28 EP disclosed
EP-2407456-A1 CARBAZOLE OXIME ESTER PHOTOINITIATOR Changzhou Tronly New Electronic Materials Co., Ltd (CN) 2012-01-18 EP disclosed