SCHEMBL9305767

SCHEMBL9305767

CC(C(=O)O)C(Sc1nc2c(-c3ccccc3)cccc2s1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 2/20 0.40
PLA2G1B P04054 1/20 0.40
MAPT P10636 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
RET P07949 1/20 0.38
FLT1 P17948 1/20 0.38
KDR P35968 1/20 0.38
MAPK14 Q16539 1/20 0.38
LIPG Q9Y5X9 2/20 0.37
PPARA Q07869 11/20 0.36
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34

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 0.81 POLB (0.42) POLBLMNAALDH1A1MAPK1RET
SCHEMBL10597357 0.81 RET (0.39) POLBLMNAALDH1A1MAPK1RET
SCHEMBL8972732 0.80 POLB (0.58) POLBLMNAALDH1A1MAPK1MAPT
SCHEMBL4460654 0.74 ENPP1 (0.42) LMNAALDH1A1MAPK1MAPTRET
SCHEMBL1771056 0.74 FBP1 (0.50) ALDH1A1MAPK1RETFLT1KDR
SCHEMBL9307681 0.74 TOP2A (0.41) POLBLMNAALDH1A1MAPK1PLA2G1B
SCHEMBL10763859 0.74 RET (0.42) POLBLMNAALDH1A1MAPK1MAPT
SCHEMBL4460658 0.71 ENPP1 (0.39) ALDH1A1MAPK1RETFLT1KDR
SCHEMBL10763853 0.71 RET (0.40) POLBLMNAALDH1A1MAPK1MAPT
SCHEMBL10830122 0.69 PPARA (0.52) POLBLMNAALDH1A1MAPTPPARA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0128862-B1 ANTI-CORROSIVE COATING COMPOSITION CIBA-GEIGY AG (CH) 1989-03-01 EP disclosed
EP-0183647-B1 ANTI-CORROSIVE AQUEOUS PAINTS CIBA-GEIGY AG (CH) 1989-02-15 EP disclosed
US-4612049-A BENZOTHI ZOLYL THIO-, BENZIMIDAZOLYLTHIO- OR BENZOXAZOLYLTHIO-SUBSTITUTED CARBOXY ACID CIBA-GEIGY CORPORATION (US) 1986-09-16 US disclosed
EP-0183647-A1 Anti-corrosive aqueous paints CIBA-GEIGY AG (CH) 1986-06-04 EP disclosed
EP-0128862-A2 Anti-corrosive coating composition CIBA-GEIGY AG (CH) 1984-12-19 EP disclosed