SCHEMBL28248347

SCHEMBL28248347

COC(=O)c1cc(-c2ccccc2N)cs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.47
HPGD P15428 7/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PRKCZ Q05513 2/20 0.47
HSD17B10 Q99714 7/20 0.46
CFTR P13569 1/20 0.46
KDM4E B2RXH2 6/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ABL1 P00519 1/20 0.41
MAPT P10636 6/20 0.41
MAOA P21397 1/20 0.41
ACHE P22303 1/20 0.41
GAA P10253 3/20 0.40
MAPK1 P28482 3/20 0.40
TSHR P16473 2/20 0.40
NPC1 O15118 1/20 0.39
PKM P14618 2/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL6882573 0.82 SLC6A3 (0.42) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL2326735 0.80 HDAC6 (0.57) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL6369543 0.77 ALAD (0.49) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL27691576 0.77 ABL1 (0.52) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL31117930 0.77 ABL1 (0.52) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL1705807 0.76 ALAD (0.42) ALDH1A1HPGDLMNAMEN1KMT2A
Bromide SCHEMBL1706892 0.75 ALAD (0.41) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL31497795 0.73 EGFR (0.56) ALDH1A1HPGDHSD17B10CFTRKDM4E
SCHEMBL254849 0.73 EGFR (0.56) ALDH1A1HPGDHSD17B10CFTRKDM4E
SCHEMBL396896 0.73 CA12 (0.54) ALDH1A1HPGDHSD17B10CFTRKDM4E

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-108729561-A A kind of SBS modified asphalt waterproof coiled materials and its processing technology 南京金洋防水工程有限公司 2018-11-02 CN claimed
CN-108729561-A A kind of SBS modified asphalt waterproof coiled materials and its processing technology 南京金洋防水工程有限公司 2018-11-02 CN disclosed