SCHEMBL27713636

SCHEMBL27713636

CC1NSc2ccccc2N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 2/20 0.37
ALOX12 P18054 2/20 0.37
CYP1A2 P05177 1/20 0.37
BCHE P06276 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
MAOA P21397 1/20 0.37
CNR1 P21554 1/20 0.37
ACHE P22303 1/20 0.37
PTGS1 P23219 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR2C P28335 1/20 0.37
PTGS2 P35354 1/20 0.37

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
SCHEMBL8279432 0.71 CREBBP (0.50) IDO1MEN1KMT2ANPC1GAA
SCHEMBL8582807 0.71 IDO1 (0.40) IDO1MEN1KMT2ANPC1GAA
SCHEMBL338205 0.70 IDO1 (0.57) IDO1MEN1KMT2ANPC1GAA
SCHEMBL16181708 0.70 IDO1 (0.57) IDO1MEN1KMT2ANPC1GAA
SCHEMBL16711400 0.70 IDO1 (0.57) IDO1MEN1KMT2ANPC1GAA
SCHEMBL12661831 0.70 IDO1 (0.57) IDO1MEN1KMT2ANPC1GAA
SCHEMBL27406608 0.68 IDO1 (0.38) IDO1MEN1KMT2ANPC1GAA
SCHEMBL14048753 0.65 MEN1 (0.56) IDO1MEN1KMT2ANPC1GAA
SCHEMBL12571712 0.65 IDO1 (0.52) IDO1MEN1KMT2ANPC1GAA
SCHEMBL12334112 0.65 HTR5A (0.32) MEN1KMT2AGAAALOX12CYP1A2

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
CN-101092405-B Derivative of new benzothiadiazines, preparation method and usage THADWEIK ACADEMY OF MEDICINE BEIJING 2010-05-12 CN disclosed
CN-101092405-A Derivative of new benzothiadiazines, preparation method and usage ENHUA MEDICINES INST BEIJING (CN) 2007-12-26 CN disclosed