SCHEMBL21984591

SCHEMBL21984591

CCc1cccc(Sc2ccccc2N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 1/20 0.48
SLC6A4 P31645 7/20 0.47
SLC6A2 P23975 6/20 0.47
HPGD P15428 1/20 0.46
PRMT1 Q99873 1/20 0.44
HTR2C P28335 1/20 0.44
HTR6 P50406 1/20 0.44
SLC6A3 Q01959 4/20 0.41
KIF11 P52732 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 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
SCHEMBL1786072 0.80 HTR2C (0.52) POLBSLC6A4HPGDHTR2CHTR6
SCHEMBL6032670 0.78 HPGD (0.51) POLBALDH1A1MAPK1HPGDHTR2C
SCHEMBL810321 0.78 SLC6A4 (0.58) POLBALDH1A1MAPK1SLC6A4SLC6A2
SCHEMBL17847477 0.77 MAPT (0.46) POLBALDH1A1MAPK1SLC6A4SLC6A2
SCHEMBL11375649 0.77 ALDH1A1 (0.53) POLBALDH1A1MAPK1SLC6A4SLC6A2
SCHEMBL30567151 0.74 MEN1 (0.43) POLBALDH1A1MAPK1SLC6A4SLC6A2
SCHEMBL1341559 0.74 ALDH1A1 (0.57) POLBALDH1A1SLC6A4SLC6A2HPGD
SCHEMBL7378483 0.74 MEN1 (0.43) POLBALDH1A1MAPK1SLC6A4SLC6A2
SCHEMBL11546 0.73 MAPT (0.56) POLBALDH1A1MAPK1SLC6A4SLC6A2
SCHEMBL29613097 0.73 MAPT (0.56) POLBALDH1A1MAPK1SLC6A4SLC6A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2500365-B1 SUPPORTED NON-METALLOCENE CATALYST AND PREPARATION METHOD AND USES THEREOF CHINA PETROLEUM & CHEM CORP (CN) 2020-05-06 EP disclosed