SCHEMBL9306229

SCHEMBL9306229

OC(=S)CC(C(O)=S)c1nc2c(F)cccc2o1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 1/20 0.39
HSF1 Q00613 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CB P42338 1/20 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
SCHEMBL9306240 0.90 DAGLA (0.42) DAGLAHSF1PIK3CDPIK3CB
SCHEMBL8973078 0.82 IKBKE (0.32)
SCHEMBL9305331 0.82 TOP2A (0.36) PIK3CDPIK3CB
SCHEMBL9733962 0.81
SCHEMBL9304105 0.81
SCHEMBL8972323 0.79 NPC1 (0.42)
SCHEMBL9306222 0.77 DAGLA (0.43) DAGLAHSF1PIK3CDPIK3CB
Ammonia Solution, Strong SCHEMBL10865670 0.77 RAB9A (0.41)
SCHEMBL9306338 0.77 HSD17B10 (0.36)
SCHEMBL9305137 0.77 NPSR1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5347008-A Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents CIBA-GEIGY CORPORATION (US) 1994-09-13 US disclosed
US-5152929-A Corrosion inhibitors for water systems CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
US-4612049-A BENZOTHI ZOLYL THIO-, BENZIMIDAZOLYLTHIO- OR BENZOXAZOLYLTHIO-SUBSTITUTED CARBOXY ACID CIBA-GEIGY CORPORATION (US) 1986-09-16 US disclosed