SCHEMBL9305214

SCHEMBL9305214

O=C(O)CC(C(=O)O)C(Sc1nc2ccccc2s1)c1ccc(C(=O)O)cc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
PTPN1 P18031 1/20 0.44
ALDH1A1 P00352 4/20 0.43
POLB P06746 4/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
ALPL P05186 1/20 0.41
ALPG P10696 1/20 0.41
GCGR P47871 1/20 0.41

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
SCHEMBL9304997 0.84 ALDH1A1 (0.47) MEN1KMT2ANPC1RAB9APTPN1
SCHEMBL11130994 0.84 MEN1 (0.47) MEN1KMT2ANPC1RAB9APTPN1
SCHEMBL10640982 0.82 PTPN1 (0.44) MEN1KMT2ANPC1RAB9APTPN1
SCHEMBL9305241 0.82 ALDH1A1 (0.51) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL9811106 0.81 NPC1 (0.40) MEN1KMT2ANPC1RAB9APTPN1
SCHEMBL10595487 0.80 MEN1 (0.44) MEN1KMT2ANPC1RAB9APTPN1
SCHEMBL9811108 0.79 NPC1 (0.41) MEN1KMT2ANPC1RAB9APTPN1
SCHEMBL9304778 0.78 SMN1; SMN2 (0.48) MEN1KMT2ANPC1RAB9APTPN1
SCHEMBL10866653 0.78 RAB9A (0.47) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL8971947 0.77 HSD17B10 (0.53) MEN1KMT2ANPC1RAB9AALDH1A1

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 9 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-0128862-A2 Anti-corrosive coating composition CIBA-GEIGY AG (CH) 1984-12-19 EP disclosed