SCHEMBL9307717

SCHEMBL9307717

Nc1ccc2nc(SCC(CC(=O)O)C(=O)O)sc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
MAPT P10636 8/20 0.56
ALDH1A1 P00352 8/20 0.56
LMNA P02545 3/20 0.56
HPGD P15428 4/20 0.54
SHMT2 P34897 1/20 0.54
KEAP1 Q14145 1/20 0.49
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
THRB P10828 1/20 0.42
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PPARA Q07869 2/20 0.41

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
SCHEMBL9304554 0.85 PDK1 (0.58) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL9443075 0.83 PPARA (0.56) MEN1KMT2ALMNAPPARA
SCHEMBL8972076 0.83 ALDH1A1 (0.61) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL10892449 0.81 ALDH1A1 (0.60) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL10890577 0.81 ALDH1A1 (0.60) MEN1KMT2AMAPTALDH1A1HPGD
Ammonia Solution, Strong SCHEMBL10895431 0.81 ALDH1A1 (0.60) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL10890573 0.81 ALDH1A1 (0.60) MEN1KMT2AMAPTALDH1A1HPGD
Ammonia Solution, Strong SCHEMBL10597225 0.81 ALDH1A1 (0.60) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL9443149 0.81 SMN1; SMN2 (0.48) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL8973281 0.81 MEN1 (0.54) MEN1KMT2AMAPTALDH1A1LMNA

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 12 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
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-0129506-B1 HETEROCYCLICALLY SUBSTITUTED THIO(CYCLO)ALKANE POLYCARBOXYLIC ACIDS CIBA-GEIGY AG (CH) 1991-03-06 EP disclosed
EP-0375614-A1 Corrosion-inhibiting coating compositions CIBA-GEIGY AG (CH) 1990-06-27 EP disclosed
EP-0128862-B1 ANTI-CORROSIVE COATING COMPOSITION CIBA-GEIGY AG (CH) 1989-03-01 EP disclosed
EP-0183647-B1 ANTI-CORROSIVE AQUEOUS PAINTS CIBA-GEIGY AG (CH) 1989-02-15 EP 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