SCHEMBL9304721

SCHEMBL9304721

CS(=O)(=O)c1ccc2nc(SC(CC(=O)O)C(=O)O)oc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
CLK1 P49759 1/20 0.36
HTT P42858 1/20 0.36
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
KMT2A Q03164 3/20 0.35
NPBWR1 P48145 1/20 0.34
POLB P06746 1/20 0.34
GRK6 P43250 1/20 0.34
CTSA P10619 1/20 0.34
MEN1 O00255 2/20 0.33
LMNA P02545 2/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
ACP1 P24666 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
SCHEMBL9305093 0.82 MAPT (0.42) ALDH1A1AKR1C3AKR1C2KMT2APOLB
SCHEMBL9306813 0.81 POLB (0.41) ALDH1A1KMT2APOLBMEN1LMNA
SCHEMBL8972457 0.81 ALDH1A1 (0.40) ALDH1A1KMT2APOLBMEN1KDM4E
SCHEMBL10888973 0.81 POLB (0.40) ALDH1A1KMT2APOLBMEN1KDM4E
SCHEMBL9305523 0.81 LMNA (0.43) ALDH1A1KMT2AMEN1LMNAHSD17B10
SCHEMBL11119676 0.80 HTT (0.50) ALDH1A1HTTKMT2APOLBGRK6
SCHEMBL9305817 0.80 MAPT (0.47) ALDH1A1KMT2APOLBMEN1LMNA
SCHEMBL9734571 0.79 RAB9A (0.34) ALDH1A1KMT2APOLBMEN1LMNA
SCHEMBL8972641 0.79 PPARA (0.48) ALDH1A1HTTAKR1C3AKR1C2KMT2A
SCHEMBL9305788 0.78 HSD17B10 (0.39) ALDH1A1KMT2APOLBLMNAHSD17B10

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