SCHEMBL8548012

SCHEMBL8548012

Cc1ccc(C(=NCc2ccccc2)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 2/20 0.55
GRIN2B Q13224 6/20 0.52
GRIN1 Q05586 2/20 0.52
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
NOS2 P35228 1/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
RECQL P46063 1/20 0.43
SCN5A Q14524 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL30389865 0.94 SCN2A (0.49) SCN2AGRIN2BGRIN1KMT2AMEN1
SCHEMBL30762058 0.94 SCN2A (0.49) SCN2AGRIN2BGRIN1KMT2AMEN1
SCHEMBL5075641 0.88 GRIN2B (0.63) GRIN2BGRIN1NPC1NOS2ALDH1A1
SCHEMBL11094429 0.84 GRIN2B (0.57) GRIN2BGRIN1NPC1NOS2CES2
SCHEMBL8544952 0.81 GRIN2B (0.67) GRIN2BGRIN1NPC1RAB9ANOS2
SCHEMBL11097294 0.79 GRIN2B (0.54) GRIN2BGRIN1KMT2AMEN1RAB9A
SCHEMBL29157285 0.78 GRIN2B (0.47) GRIN2BGRIN1KMT2AMEN1NPC1
SCHEMBL5236050 0.78 TSHR (0.52) GRIN2BGRIN1CES2CES1POLB
SCHEMBL25718962 0.76 GRIN2B (0.58) SCN2AGRIN2BGRIN1NOS2SCN5A
SCHEMBL11205432 0.76 CES2 (0.58) KMT2AMEN1NPC1RAB9ACES2

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-0671385-B1 Method for handling (2-alkyl) acryloyl isocyanate, method for producing (2-alkyl)acryloyl isocyanate, heterocyclic compound, and method for producing heterocyclic compound NIPPON PAINT CO LTD (JP) 1998-10-14 EP disclosed
US-5663423-A Method for handling (2-alkyl) (acryloyl) isocyanate, method for stabilizing (2-alkyl) (acryloyl) isocyanate, method for producing (2-alkyl) (acryloyl) isocyanate, heterocyclic compound, and method for producing heterocyclic compound NIPPON PAINT CO., LTD (JP) 1997-09-02 US disclosed
US-5532360-A REACTING WITH AZOMETHINE COMPOUND TO FORM HETEROCYCLIC COMPOUND NIPPON PAINT CO., LTD. (JP) 1996-07-02 US disclosed
EP-0671385-A1 Method for handling (2-alkyl) acryloyl isocyanate, method for producing (2-alkyl)acryloyl isocyanate, heterocyclic compound, and method for producing heterocyclic compound Nippon Paint Co., Ltd. (JP) 1995-09-13 EP disclosed