SCHEMBL9305352

SCHEMBL9305352

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
HDAC6 Q9UBN7 4/20 0.36
POLB P06746 1/20 0.35
GAA P10253 1/20 0.34
F3 P13726 1/20 0.34
HPSE Q9Y251 1/20 0.34
PIK3CA P42336 1/20 0.34
MBOAT4 Q96T53 1/20 0.33
CTSA P10619 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
SCHEMBL9305339 0.93 RAB9A (0.41) RAB9ANPC1KMT2AMEN1HDAC6
SCHEMBL8973151 0.90 RAB9A (0.42) RAB9ANPC1KMT2AMEN1HDAC6
SCHEMBL10893442 0.84 RAB9A (0.48) RAB9ANPC1KMT2AMEN1HDAC6
SCHEMBL9304885 0.84 RAB9A (0.51) RAB9ANPC1KMT2AMEN1HDAC6
SCHEMBL10892223 0.82 RAB9A (0.47) RAB9ANPC1KMT2AMEN1HDAC6
SCHEMBL9306172 0.82 MAPT (0.48) RAB9ANPC1KMT2AMEN1
SCHEMBL8973141 0.82 RAB9A (0.42) RAB9ANPC1KMT2AMEN1HDAC6
SCHEMBL8972448 0.82 LMNA (0.48) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL8972672 0.82 SMN1; SMN2 (0.49) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL9305334 0.81 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 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