SCHEMBL7947339

SCHEMBL7947339

COCC1CNC(=S)N1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
DDAH1 O94760 1/20 0.33
ALOX5 P09917 1/20 0.33

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
SCHEMBL4553224 0.68 ATM (0.43) TDP1ALDH1A1POLB
SCHEMBL11815310 0.66 ALDH1A1 (0.36) TDP1ALDH1A1DDAH1ALOX5
SCHEMBL8683030 0.66 ALOX5 (0.42) ALOX5
SCHEMBL791983 0.65 FFAR1 (0.49)
SCHEMBL30097125 0.65 FFAR1 (0.49)
SCHEMBL27314236 0.64 FFAR1 (0.45) ALDH1A1
SCHEMBL29688708 0.64 HSD11B1 (0.38) ALDH1A1POLBALOX5
SCHEMBL8572575 0.63 ALOX5 (0.34) ALDH1A1ALOX5
SCHEMBL12701192 0.62 MAPK1 (0.42) ALDH1A1
SCHEMBL7081134 0.61 ALDH1A1 (0.35) TDP1ALDH1A1

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
US-6262300-B1 REACTING THE CORRESPONDING LACTONE WITH PHOSPGENE IN PRESENCE OF UREA BASF AKTIENGESELLSCHAFT (DE) 2001-07-17 US disclosed