SCHEMBL7864635

SCHEMBL7864635

CCCSc1c(OC)ccnc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.37
MAPT P10636 6/20 0.35
L3MBTL1 Q9Y468 5/20 0.35
TDP1 Q9NUW8 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
THRB P10828 1/20 0.34
ALDH1A1 P00352 4/20 0.34
PLA2G1B P04054 1/20 0.34
POLB P06746 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ENPP1 P22413 1/20 0.33
APLNR P35414 2/20 0.32
HPGD P15428 3/20 0.32

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
SCHEMBL7870542 0.75 THRB (0.33) ARMAPTL3MBTL1CYP1A2CYP2D6
SCHEMBL31563751 0.73 AR (0.38) ARKMT2AAPLNRKDM4E
SCHEMBL22165527 0.73 AR (0.38) ARKMT2AAPLNRKDM4E
SCHEMBL1536311 0.72 CYP3A4 (0.36) MAPTL3MBTL1TDP1CYP1A2CYP2C9
SCHEMBL1662248 0.69 DYRK1A (0.40) MAPTL3MBTL1KMT2AALDH1A1MAPK1
SCHEMBL30320423 0.69 DYRK1A (0.40) MAPTL3MBTL1KMT2AALDH1A1MAPK1
SCHEMBL8351800 0.68 LMNA (0.37) MAPTLMNAMAPK1CYP3A4
SCHEMBL1536323 0.68 LMNA (0.37) MAPTLMNAKDM4EMAPK1CYP3A4
SCHEMBL4073435 0.67 DOT1L (0.39) MAPTL3MBTL1KMT2AALDH1A1POLB
SCHEMBL1445758 0.67 PKM (0.40) MAPTL3MBTL1TDP1CYP1A2CYP2D6

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-0877745-B1 N-( 1,2,4] TRIAZOLOAZINYL)BENZENESULFONAMIDE AND PYRIDINESULFONAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2001-07-25 EP disclosed