SCHEMBL9307552

SCHEMBL9307552

O=C(O)CC(C(O)=S)c1nc2c(-c3ccccc3)cccc2s1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 3/20 0.40
RET P07949 1/20 0.39
FLT1 P17948 1/20 0.39
KDR P35968 1/20 0.39
MAPK14 Q16539 1/20 0.39
CTSA P10619 10/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 1/20 0.34
CASP1 P29466 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
CNR2 P34972 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
SCHEMBL9307538 0.90 LIPG (0.37) LIPGRETFLT1KDRMAPK14
SCHEMBL8972781 0.82 GAA (0.45) PKMSMN1; SMN2KMT2A
SCHEMBL9307532 0.81 LIPG (0.40) LIPGRETFLT1KDRMAPK14
SCHEMBL8972091 0.81 POLB (0.35) CTSAPKMSMN1; SMN2KMT2A
SCHEMBL9305758 0.80 PKM (0.34) CTSAPKMSMN1; SMN2KMT2A
SCHEMBL402777 0.79 PKM (0.52) PKMSMN1; SMN2KMT2A
SCHEMBL9443111 0.78 GAA (0.36) PKMSMN1; SMN2KMT2A
Ammonia Solution, Strong SCHEMBL7032987 0.78 PKM (0.51) PKMSMN1; SMN2KMT2A
Methylamine SCHEMBL10867358 0.76 PKM (0.52) PKMSMN1; SMN2KMT2A
SCHEMBL9443214 0.75 SMN1; SMN2 (0.40) SMN1; SMN2KMT2A

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