SCHEMBL9304496

SCHEMBL9304496

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

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.65
POLB P06746 2/20 0.55
KMT2A Q03164 3/20 0.51
TXN P10599 1/20 0.50
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
HIF1A Q16665 1/20 0.45
HTT P42858 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
SCHEMBL11121930 0.82 SMN1; SMN2 (0.73) SMN1; SMN2POLBKMT2ATXNMEN1
SCHEMBL9305912 0.79 SMN1; SMN2 (0.61) SMN1; SMN2POLBKMT2ATXNMEN1
SCHEMBL11018802 0.79 SMN1; SMN2 (0.58) SMN1; SMN2POLBKMT2ATXNMEN1
SCHEMBL11019178 0.78 SMN1; SMN2 (0.54) SMN1; SMN2POLBKMT2ATXNMEN1
SCHEMBL11035904 0.76 SMN1; SMN2 (0.51) SMN1; SMN2POLBKMT2ATXNMEN1
SCHEMBL10641076 0.76 SMN1; SMN2 (0.51) SMN1; SMN2POLBKMT2AMEN1LMNA
SCHEMBL10872581 0.76 POLB (0.70) SMN1; SMN2POLBKMT2ATXNMEN1
SCHEMBL8972735 0.76 SMN1; SMN2 (0.72) SMN1; SMN2POLBKMT2AMEN1LMNA
SCHEMBL8972733 0.75 SMN1; SMN2 (0.60) SMN1; SMN2POLBKMT2ATXNMEN1
SCHEMBL11014818 0.75 SMN1; SMN2 (0.68) SMN1; SMN2POLBKMT2AMEN1LMNA

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-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-4696763-A PAINTS, BLENDS CIBA-GEIGY CORPORATION (US) 1987-09-29 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