SCHEMBL8973227

SCHEMBL8973227

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
SMN1; SMN2 Q16637 7/20 0.42
MAPT P10636 9/20 0.42
ALDH1A1 P00352 7/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 5/20 0.42
GAA P10253 5/20 0.42
KDM4E B2RXH2 4/20 0.42
GLA P06280 3/20 0.42
PKM P14618 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
GFER P55789 2/20 0.40
POLB P06746 2/20 0.40
MITF O75030 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL9305507 0.81 AKR1B1 (0.48)
SCHEMBL10891174 0.81 SMN1; SMN2 (0.58) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL9306500 0.80 NPC1 (0.51) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL9307717 0.79 MEN1 (0.58) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL8973281 0.76 MEN1 (0.54) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL8973284 0.74 MEN1 (0.44) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL22130286 0.74 SMN1; SMN2 (0.50) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL9181240 0.73 MAPT (0.42) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL20357506 0.72 SMN1; SMN2 (0.49) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL3251161 0.71 UBE2T (0.59) MEN1KMT2ASMN1; SMN2MAPTALDH1A1

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
EP-0511163-B1 Pourable aqueous dispersions of polycarboxylic acid corrosion inhibitors CIBA GEIGY AG (CH) 1995-07-26 EP disclosed
US-5347008-A Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents CIBA-GEIGY CORPORATION (US) 1994-09-13 US disclosed
EP-0511163-A1 Pourable aqueous dispersions of polycarboxylic acid corrosion inhibitors CIBA-GEIGY AG (CH) 1992-10-28 EP 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-0129506-A2 Heterocyclically substituted thio(cyclo)alkane polycarboxylic acids CIBA-GEIGY AG (CH) 1984-12-27 EP disclosed