SCHEMBL9305556

SCHEMBL9305556

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 2/20 0.39
MAPT P10636 7/20 0.32
SMN1; SMN2 Q16637 5/20 0.32
THRB P10828 1/20 0.32
TP53 P04637 2/20 0.31
SCD O00767 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL9305564 0.92 STING1 (0.42) STING1MAPTSMN1; SMN2THRBTP53
SCHEMBL9304950 0.76 CA9 (0.32) MAPTTP53ALDH1A1LMNAGAA
SCHEMBL9304169 0.75 GAA (0.44) STING1MAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL9305793 0.73 ALDH1A1 (0.52) MAPTSMN1; SMN2TP53ALDH1A1LMNA
SCHEMBL9306389 0.72 STING1 (0.37) STING1MAPTSMN1; SMN2THRBTP53
SCHEMBL9305594 0.72 STING1 (0.37) STING1MAPTSMN1; SMN2THRBTP53
SCHEMBL8972403 0.71 RAB9A (0.49) MAPTSMN1; SMN2TP53ALDH1A1LMNA
SCHEMBL8972966 0.70 CYP1A2 (0.48) MAPTSMN1; SMN2TP53SCDALDH1A1
SCHEMBL9304883 0.70 NPC1 (0.50) SMN1; SMN2TP53ALDH1A1GAAHPGD
SCHEMBL10759187 0.68 STING1 (0.42) STING1MAPTSMN1; SMN2THRBTP53

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