SCHEMBL8973151

SCHEMBL8973151

O=C(O)CC(C(O)=S)c1nc2cc(C(=O)O)ccc2o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.42
NPC1 O15118 5/20 0.42
MBOAT4 Q96T53 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
HDAC6 Q9UBN7 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
ELANE P08246 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
TTR P02766 1/20 0.35
ALB P02768 1/20 0.35
MAOA P21397 1/20 0.35
CNR1 P21554 1/20 0.35
DRD1 P21728 1/20 0.35
OPRD1 P41143 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE3A Q14432 1/20 0.35

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
SCHEMBL8973141 0.92 RAB9A (0.42) RAB9ANPC1MBOAT4HPGDSMN1; SMN2
SCHEMBL9305352 0.90 RAB9A (0.41) RAB9ANPC1MBOAT4KMT2AMEN1
SCHEMBL9304885 0.87 RAB9A (0.51) RAB9ANPC1KMT2AMEN1HDAC6
SCHEMBL10893442 0.87 RAB9A (0.48) RAB9ANPC1KMT2AMEN1HDAC6
SCHEMBL9306172 0.85 MAPT (0.48) RAB9ANPC1HPGDKMT2AMEN1
SCHEMBL10892223 0.85 RAB9A (0.47) RAB9ANPC1HPGDKMT2AMEN1
SCHEMBL8972448 0.84 LMNA (0.48) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL8972672 0.84 SMN1; SMN2 (0.49) RAB9ANPC1HPGDSMN1; SMN2KMT2A
SCHEMBL9305339 0.82 RAB9A (0.41) RAB9ANPC1MBOAT4KMT2AMEN1
SCHEMBL9305602 0.81 GAA (0.44) RAB9ANPC1SMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5549847-A STIRRING A FILTER CAKE OF CORROSION INHIBITOR WITH DISPERSANT AND THICKENER; STORAGE STABILITY CIBA-GEIGY CORPORATION (US) 1996-08-27 US disclosed
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