SCHEMBL8972777

SCHEMBL8972777

O=C(O)CC(Sc1nc2c(F)cccc2s1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.44
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
POLB P06746 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
AKR1B1 P15121 2/20 0.42
AKR1A1 P14550 1/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
HTR2C P28335 1/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 2/20 0.40
PRNP P04156 1/20 0.40
PPARA Q07869 3/20 0.40
MAPT P10636 2/20 0.39

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
SCHEMBL9307545 0.83 POLB (0.42) GAAKDM4EALDH1A1POLBAPOBEC3G
SCHEMBL8972086 0.83 POLB (0.42) KDM4EALDH1A1POLBAPOBEC3GTDP1
SCHEMBL402778 0.79 ALDH1A1 (0.57) KDM4EALDH1A1POLBAPOBEC3GTDP1
SCHEMBL9443105 0.78 PPARA (0.46) KDM4EALDH1A1POLBAPOBEC3GTDP1
SCHEMBL10893548 0.78 ALDH1A1 (0.56) KDM4EALDH1A1POLBAPOBEC3GTDP1
SCHEMBL28421418 0.78 ALDH1A1 (0.56) KDM4EALDH1A1POLBAPOBEC3GTDP1
Ammonia Solution, Strong SCHEMBL7033477 0.78 ALDH1A1 (0.56) KDM4EALDH1A1POLBAPOBEC3GTDP1
SCHEMBL10895810 0.78 ALDH1A1 (0.56) KDM4EALDH1A1POLBAPOBEC3GTDP1
SCHEMBL9443208 0.77 LMNA (0.41) KDM4EALDH1A1POLBAPOBEC3GTDP1
Dimethylamine SCHEMBL10893610 0.75 LMNA (0.53) ALDH1A1POLBSMN1; SMN2LMNAKMT2A

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