SCHEMBL8972769

SCHEMBL8972769

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.45
KDM4E B2RXH2 4/20 0.45
LMNA P02545 3/20 0.45
PKM P14618 2/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
CASP3 P42574 2/20 0.43
SENP8 Q96LD8 2/20 0.43
SENP7 Q9BQF6 2/20 0.43
SENP6 Q9GZR1 2/20 0.43
HTR2C P28335 1/20 0.43
RAB9A P51151 7/20 0.42
NPC1 O15118 6/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HPGD P15428 2/20 0.42
PRNP P04156 1/20 0.42
AKR1B1 P15121 2/20 0.41
AKR1A1 P14550 1/20 0.41
MAPT P10636 4/20 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
SCHEMBL8972078 0.82 POLB (0.34) PKMSMN1; SMN2ALDH1A1KMT2AHPGD
SCHEMBL9307532 0.82 LIPG (0.40) GAASMN1; SMN2ALDH1A1KMT2AHPGD
SCHEMBL9305750 0.81 L3MBTL1 (0.32) GAAKDM4ELMNAPKMALDH1A1
SCHEMBL8972781 0.81 GAA (0.45) GAAKDM4ELMNAPKMSMN1; SMN2
SCHEMBL1041921 0.78 PKM (0.36) GAAKDM4EPKMSMN1; SMN2ALDH1A1
SCHEMBL9443095 0.78 CD38 (0.37) KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL402775 0.78 HPGD (0.55) PKMSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL8972772 0.77 SMN1; SMN2 (0.44) GAAKDM4ELMNAPKMSMN1; SMN2
Ammonia Solution, Strong SCHEMBL7033471 0.77 HPGD (0.53) PKMSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL9443199 0.76 SMN1; SMN2 (0.40) SMN1; SMN2RAB9ANPC1ALDH1A1MEN1

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