SCHEMBL8973017

SCHEMBL8973017

COc1ccc2nc(C(CC(=O)O)C(O)=S)sc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.51
NPC1 O15118 7/20 0.48
RAB9A P51151 7/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C19 P33261 2/20 0.48
HTT P42858 2/20 0.48
ATAD2 Q6PL18 1/20 0.48
DYRK1A Q13627 1/20 0.48
CASP2 P42575 1/20 0.47
SCD O00767 2/20 0.46
TSHR P16473 2/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
MAPT P10636 4/20 0.46
LMNA P02545 2/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46

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
SCHEMBL9304897 0.91 NPC1 (0.54) PKMNPC1RAB9ASMN1; SMN2DYRK1A
SCHEMBL8972966 0.90 CYP1A2 (0.48) PKMNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL9305814 0.88 PPARA (0.54) PKMNPC1RAB9ASMN1; SMN2CYP3A4
SCHEMBL8972422 0.82 RAB9A (0.47) PKMNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL8972963 0.82 ATAD2 (0.49) PKMNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL8973284 0.81 MEN1 (0.44) PKMNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL8972435 0.81 AKR1B1 (0.44) NPC1RAB9ASMN1; SMN2HTTDYRK1A
SCHEMBL9443152 0.81 LDHA (0.43) NPC1RAB9ASMN1; SMN2HTTMAPT
SCHEMBL9304883 0.81 NPC1 (0.50) PKMNPC1RAB9ASMN1; SMN2DYRK1A
SCHEMBL9443182 0.80 ALDH1A1 (0.55) NPC1RAB9ASMN1; SMN2TSHRKMT2A

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