SCHEMBL8971606

SCHEMBL8971606

O=C(O)CC(C(O)=S)c1nc2ccc([N+](=O)[O-])cc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 3/20 0.49
CYP3A4 P08684 2/20 0.49
TSHR P16473 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTT P42858 1/20 0.49
DYRK1A Q13627 1/20 0.48
PDK1 Q15118 1/20 0.48
ACP1 P24666 2/20 0.47
MEN1 O00255 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CLK1 P49759 1/20 0.46
CA2 P00918 1/20 0.45
CA5A P35218 1/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
POLB P06746 1/20 0.44
STAT1 P42224 1/20 0.44

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
SCHEMBL8971595 0.92 SMN1; SMN2 (0.50) MAPTKMT2ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL8973284 0.83 MEN1 (0.44) MAPTKMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL8971590 0.82 MAPT (0.50) MAPTKMT2ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL8972435 0.81 AKR1B1 (0.44) MAPTKMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL9443182 0.79 ALDH1A1 (0.55) KMT2ASMN1; SMN2ALDH1A1TSHRACP1
SCHEMBL8972422 0.79 RAB9A (0.47) MAPTKMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL9443152 0.78 LDHA (0.43) MAPTSMN1; SMN2HTTCA2RAB9A
SCHEMBL8973017 0.78 PKM (0.51) MAPTKMT2ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL30944811 0.77 PKM (0.52) KMT2ASMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL402777 0.77 PKM (0.52) KMT2ASMN1; SMN2ALDH1A1TSHRHTT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5549847-A STIRRING A FILTER CAKE OF CORROSION INHIBITOR WITH DISPERSANT AND THICKENER; STORAGE STABILITY CIBA-GEIGY CORPORATION (US) 1996-08-27 US disclosed
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