SCHEMBL9305564

SCHEMBL9305564

CCCOc1cc2sc(C(CC(=O)O)C(O)=S)nc2cc1Br

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 4/20 0.42
MAPT P10636 7/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
THRB P10828 1/20 0.35
TP53 P04637 2/20 0.34
SCD O00767 1/20 0.34
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ABL1 P00519 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
SCHEMBL9305556 0.92 STING1 (0.39) STING1MAPTSMN1; SMN2THRBTP53
SCHEMBL9304957 0.77 CA9 (0.35) STING1MAPTTP53LMNAALDH1A1
SCHEMBL9304179 0.76 GAA (0.41) STING1MAPTSMN1; SMN2TP53LMNA
SCHEMBL9305814 0.74 PPARA (0.54) MAPTSMN1; SMN2TP53LMNAALDH1A1
SCHEMBL8972422 0.72 RAB9A (0.47) MAPTSMN1; SMN2TP53LMNAALDH1A1
SCHEMBL8972535 0.72 DYRK1A (0.45) MAPTSMN1; SMN2TP53ALDH1A1GAA
SCHEMBL9305754 0.72 CASP3 (0.35)
SCHEMBL8973017 0.71 PKM (0.51) MAPTSMN1; SMN2TP53SCDLMNA
SCHEMBL10759187 0.71 STING1 (0.42) STING1MAPTSMN1; SMN2THRBTP53
SCHEMBL9304897 0.71 NPC1 (0.54) SMN1; SMN2TP53ALDH1A1

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 6 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
EP-0375614-B1 CORROSION-INHIBITING COATING COMPOSITIONS CIBA-GEIGY AG (CH) 1993-03-31 EP disclosed
US-5198482-A Benzothiazole carboxylic acid amine salt CIBA-GEIGY CORPORATION (US) 1993-03-30 US disclosed
US-5152929-A Corrosion inhibitors for water systems CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
EP-0375614-A1 Corrosion-inhibiting coating compositions CIBA-GEIGY AG (CH) 1990-06-27 EP disclosed
US-4612049-A BENZOTHI ZOLYL THIO-, BENZIMIDAZOLYLTHIO- OR BENZOXAZOLYLTHIO-SUBSTITUTED CARBOXY ACID CIBA-GEIGY CORPORATION (US) 1986-09-16 US disclosed