SCHEMBL9304858

SCHEMBL9304858

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.52
NPC1 O15118 4/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HDAC6 Q9UBN7 4/20 0.39
LMNA P02545 2/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
MAPT P10636 1/20 0.34
POLB P06746 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
SCHEMBL10892199 0.88 RAB9A (0.47) RAB9ANPC1KMT2AMEN1HDAC6
SCHEMBL8973137 0.86 RAB9A (0.43) RAB9ANPC1KMT2AMEN1HDAC6
SCHEMBL9305334 0.84 RAB9A (0.42) RAB9ANPC1KMT2AMEN1HDAC6
SCHEMBL10893421 0.83 RAB9A (0.49) RAB9ANPC1KMT2AMEN1HDAC6
SCHEMBL9305580 0.83 ALDH1A1 (0.42) RAB9ANPC1KMT2AMEN1HDAC6
SCHEMBL9304885 0.82 RAB9A (0.51) RAB9ANPC1KMT2AMEN1HDAC6
SCHEMBL9304870 0.82 RAB9A (0.51) RAB9ANPC1KMT2AMEN1HDAC6
SCHEMBL9306155 0.81 MAPT (0.48) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL8972660 0.81 SMN1; SMN2 (0.47) RAB9ANPC1KMT2AMEN1LMNA
SCHEMBL8972426 0.79 LMNA (0.46) RAB9ANPC1KMT2AMEN1LMNA

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