SCHEMBL8545241

SCHEMBL8545241

CC(C)(C)C=NCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 2/20 0.41
THRB P10828 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SLC6A2 P23975 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
NOS2 P35228 1/20 0.39
TRPA1 O75762 1/20 0.39
CYP3A4 P08684 1/20 0.39
MIF P14174 1/20 0.39
LMNA P02545 2/20 0.38
NPC1 O15118 2/20 0.38

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
SCHEMBL14034153 1.00 MAPT (0.41) MAPTALDH1A1HPGDKDM4ETHRB
SCHEMBL15944879 1.00 MAPT (0.41) MAPTALDH1A1HPGDKDM4ETHRB
SCHEMBL29159465 0.79 SLC6A2 (0.44) MAPTKDM4ESMN1; SMN2POLBSLC6A2
SCHEMBL29159444 0.79 TAAR1 (0.43) GAATAAR1NPC1MAOB
SCHEMBL30799472 0.79 TAAR1 (0.43) GAATAAR1NPC1MAOB
SCHEMBL27393645 0.78 MAPT (0.41) MAPTALDH1A1HPGDKDM4ETHRB
SCHEMBL7764872 0.77 CYP3A4 (0.47) MAPTALDH1A1HPGDKDM4ETHRB
SCHEMBL29159442 0.77 CYP1A2 (0.48) RAB9AKMT2A
SCHEMBL7764876 0.77 CYP3A4 (0.47) MAPTALDH1A1HPGDKDM4ETHRB
SCHEMBL9845929 0.77 ATM (0.39) MAPTALDH1A1HPGDKDM4ETHRB

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