SCHEMBL8972772

SCHEMBL8972772

OC(=S)CC(C(O)=S)c1nc2c(F)cccc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.44
GAA P10253 8/20 0.43
RAB9A P51151 8/20 0.43
NPC1 O15118 7/20 0.43
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 6/20 0.43
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
LMNA P02545 5/20 0.43
HPGD P15428 5/20 0.43
PRNP P04156 1/20 0.43
MAPT P10636 4/20 0.41
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR2C P28335 1/20 0.38
CASP3 P42574 2/20 0.38
SENP8 Q96LD8 2/20 0.38
SENP7 Q9BQF6 2/20 0.38
SENP6 Q9GZR1 2/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL8972781 0.90 GAA (0.45) SMN1; SMN2GAARAB9ANPC1ALDH1A1
SCHEMBL8972082 0.82 GABRA1 (0.31) LMNAHPGDMAPTHTR2CTSHR
SCHEMBL9305755 0.81 HPGD (0.31) HPGD
SCHEMBL8972769 0.77 GAA (0.45) SMN1; SMN2GAARAB9ANPC1ALDH1A1
SCHEMBL402776 0.77 HPGD (0.53) SMN1; SMN2GAARAB9ANPC1ALDH1A1
SCHEMBL9443099 0.77 ADORA1 (0.36) KDM4EMEN1KMT2AHPGDL3MBTL1
Ammonia Solution, Strong SCHEMBL7032984 0.76 HPGD (0.51) SMN1; SMN2GAARAB9ANPC1ALDH1A1
SCHEMBL9443204 0.75 SMN1; SMN2 (0.40) SMN1; SMN2GAARAB9ANPC1ALDH1A1
Methylamine SCHEMBL9443278 0.74 LOXL2 (0.51) SMN1; SMN2GAARAB9ANPC1ALDH1A1
Dimethylamine SCHEMBL10597488 0.73 HPGD (0.48) SMN1; SMN2GAARAB9ANPC1ALDH1A1

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