SCHEMBL9307538

SCHEMBL9307538

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 3/20 0.37
RET P07949 1/20 0.36
FLT1 P17948 1/20 0.36
KDR P35968 1/20 0.36
MAPK14 Q16539 1/20 0.36
ENPP1 P22413 1/20 0.34
CNR2 P34972 3/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
LIMK1 P53667 1/20 0.32
F9 P00740 1/20 0.32
HPGD P15428 1/20 0.31

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
SCHEMBL9307552 0.90 LIPG (0.40) LIPGRETFLT1KDRMAPK14
SCHEMBL8972772 0.82 SMN1; SMN2 (0.44) HPGD
SCHEMBL8972082 0.80 GABRA1 (0.31) HPGD
SCHEMBL9307532 0.79 LIPG (0.40) LIPGRETFLT1KDRMAPK14
SCHEMBL9305755 0.79 HPGD (0.31) HPGD
SCHEMBL402776 0.78 HPGD (0.53) HPGD
SCHEMBL9443099 0.77 ADORA1 (0.36) HPGD
Ammonia Solution, Strong SCHEMBL7032984 0.77 HPGD (0.51) HPGD
SCHEMBL10052153 0.75 TLR8 (0.42) LIPGRETFLT1KDRMAPK14
Methylamine SCHEMBL9443278 0.75 LOXL2 (0.51) HPGD

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