SCHEMBL9304950

SCHEMBL9304950

CCCOc1cc2oc(C(CC(O)=S)C(O)=S)nc2cc1Br

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.32
MAPT P10636 2/20 0.31
TP53 P04637 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
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 1/20 0.30

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
SCHEMBL9304957 0.92 CA9 (0.35) CA9MAPTTP53ALDH1A1LMNA
SCHEMBL9305556 0.76 STING1 (0.39) MAPTTP53ALDH1A1LMNAGAA
SCHEMBL8972635 0.74 TP53 (0.49) CA9MAPTTP53ALDH1A1HPGD
SCHEMBL9305531 0.72 CA9 (0.36) CA9TP53ALDH1A1GAAHPGD
SCHEMBL9304660 0.72 CA9 (0.36) CA9MAPTTP53ALDH1A1HPGD
SCHEMBL10892262 0.71 RAB9A (0.46) CA9MAPTTP53ALDH1A1LMNA
SCHEMBL9305516 0.71 TLR4 (0.44) MAPTTP53
SCHEMBL9305087 0.71 MAPT (0.46) MAPTTP53ALDH1A1LMNAGAA
SCHEMBL8972432 0.69 LMNA (0.45) MAPTTP53ALDH1A1LMNAGAA
SCHEMBL9305589 0.69 RAB9A (0.38) MAPTTP53ALDH1A1GAAL3MBTL1

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