SCHEMBL28115995

SCHEMBL28115995

CCOC(=O)[C@@H]1CSC(=S)N1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 5/20 0.40
MEN1 O00255 2/20 0.40
PKM P14618 1/20 0.38
MAPT P10636 1/20 0.38
ADORA2B P29275 1/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
MAPK10 P53779 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MC4R P32245 1/20 0.35
CTH P32929 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL8977676 1.00 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1PKMMAPT
SCHEMBL8977763 0.84 ALDH1A1 (0.38) ALDH1A1KMT2AMAPTHPGDNPSR1
SCHEMBL10373506 0.82 KMT2A (0.56) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL4262531 0.82 KMT2A (0.56) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL8977681 0.82 NAAA (0.42) ALDH1A1LMNA
SCHEMBL6087635 0.81 CTH (0.49) ALDH1A1KMT2AMEN1PKMMAPT
SCHEMBL2549787 0.81 CTH (0.49) ALDH1A1KMT2AMEN1PKMMAPT
SCHEMBL20709891 0.76 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1PKMMAPT
SCHEMBL20709905 0.74 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1PKMMAPT
SCHEMBL20709911 0.73 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1PKMMAPT

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-106244044-A A kind of seccotine 无锡万能胶粘剂有限公司 2016-12-21 CN claimed
CN-106244044-A A kind of seccotine 无锡万能胶粘剂有限公司 2016-12-21 CN disclosed