SCHEMBL9305843

SCHEMBL9305843

O=C(O)C(CO)C(Sc1nc2ccccc2[nH]1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.61
KMT2A Q03164 3/20 0.57
POLB P06746 2/20 0.51
EPHX2 P34913 1/20 0.49
LMNA P02545 3/20 0.48
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
BCHE P06276 1/20 0.47
MAPT P10636 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HIF1A Q16665 1/20 0.45
AR P10275 1/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL8972839 0.88 SMN1; SMN2 (0.64) SMN1; SMN2KMT2APOLBLMNARAB9A
SCHEMBL8972983 0.88 SMN1; SMN2 (0.60) SMN1; SMN2KMT2APOLBEPHX2LMNA
SCHEMBL10867320 0.88 SMN1; SMN2 (0.60) SMN1; SMN2KMT2APOLBEPHX2LMNA
SCHEMBL9305076 0.85 SMN1; SMN2 (0.60) SMN1; SMN2KMT2APOLBLMNARAB9A
SCHEMBL8972735 0.84 SMN1; SMN2 (0.72) SMN1; SMN2KMT2APOLBLMNARAB9A
SCHEMBL10640951 0.80 SMN1; SMN2 (0.56) SMN1; SMN2KMT2APOLBLMNARAB9A
SCHEMBL757400 0.80 KMT2A (0.67) SMN1; SMN2KMT2APOLBEPHX2LMNA
SCHEMBL11121930 0.79 SMN1; SMN2 (0.73) SMN1; SMN2KMT2APOLBEPHX2LMNA
SCHEMBL10872581 0.78 POLB (0.70) SMN1; SMN2KMT2APOLBLMNARAB9A
SCHEMBL11019032 0.77 SMN1; SMN2 (0.66) SMN1; SMN2KMT2APOLBLMNARAB9A

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
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
EP-0183647-A1 Anti-corrosive aqueous paints CIBA-GEIGY AG (CH) 1986-06-04 EP disclosed
EP-0129506-A2 Heterocyclically substituted thio(cyclo)alkane polycarboxylic acids CIBA-GEIGY AG (CH) 1984-12-27 EP disclosed
EP-0128862-A2 Anti-corrosive coating composition CIBA-GEIGY AG (CH) 1984-12-19 EP disclosed