SCHEMBL8973268

SCHEMBL8973268

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
MAPT P10636 10/20 0.43
ALDH1A1 P00352 8/20 0.43
HPGD P15428 5/20 0.43
KDM4E B2RXH2 4/20 0.43
GAA P10253 4/20 0.43
GLA P06280 3/20 0.43
PKM P14618 2/20 0.43
LMNA P02545 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
GFER P55789 2/20 0.41
POLB P06746 2/20 0.41
MITF O75030 1/20 0.41
NFKB1 P19838 1/20 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
SCHEMBL8972421 0.84 DYRK1A (0.45) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL8971590 0.83 MAPT (0.50) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL8972395 0.82 RAB9A (0.48) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL9443138 0.81 LDHA (0.44) SMN1; SMN2MAPTKDM4EGAALMNA
SCHEMBL8972963 0.81 ATAD2 (0.49) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL402775 0.81 HPGD (0.55) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL8973284 0.81 MEN1 (0.44) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL9443176 0.80 ALDH1A1 (0.56) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
Methylamine SCHEMBL10867351 0.80 HPGD (0.51) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
Ammonia Solution, Strong SCHEMBL7033471 0.80 HPGD (0.53) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD

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