SCHEMBL9304870

SCHEMBL9304870

CN(C)C(=O)c1ccc2oc(C(CC(O)=S)C(O)=S)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HDAC6 Q9UBN7 4/20 0.38
POLB P06746 2/20 0.36
MAPT P10636 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL9304885 0.93 RAB9A (0.51) RAB9ANPC1KMT2AMEN1HDAC6
SCHEMBL10892205 0.89 RAB9A (0.47) RAB9ANPC1KMT2AMEN1HDAC6
SCHEMBL8973141 0.87 RAB9A (0.42) RAB9ANPC1KMT2AMEN1HDAC6
SCHEMBL9305339 0.84 RAB9A (0.41) RAB9ANPC1KMT2AMEN1HDAC6
SCHEMBL10893427 0.84 RAB9A (0.48) RAB9ANPC1KMT2AMEN1HDAC6
SCHEMBL9304858 0.82 RAB9A (0.52) RAB9ANPC1KMT2AMEN1HDAC6
SCHEMBL9306161 0.82 MAPT (0.48) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL10892223 0.82 RAB9A (0.47) RAB9ANPC1KMT2AMEN1HDAC6
SCHEMBL9305589 0.81 RAB9A (0.38) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL8973151 0.79 RAB9A (0.42) RAB9ANPC1KMT2AMEN1HDAC6

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
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