SCHEMBL9303603

SCHEMBL9303603

O=C(O)CCCC(Sc1nc2ccccc2o1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.48
MEN1 O00255 4/20 0.48
RAB9A P51151 4/20 0.48
HPGD P15428 3/20 0.48
NPC1 O15118 2/20 0.48
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
GFER P55789 1/20 0.45
TSHR P16473 1/20 0.45
MAPT P10636 3/20 0.44
HSD17B10 Q99714 2/20 0.44
F2 P00734 1/20 0.44
LMNA P02545 1/20 0.44
MIF P14174 1/20 0.44
TDP1 Q9NUW8 2/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL9306463 0.96 KMT2A (0.47) KMT2AMEN1RAB9AHPGDNPC1
SCHEMBL9306421 0.92 KMT2A (0.50) KMT2AMEN1RAB9AHPGDNPC1
SCHEMBL8972330 0.84 KMT2A (0.52) KMT2AMEN1RAB9AHPGDNPC1
Hydroxyamine SCHEMBL7072245 0.83 KMT2A (0.55) KMT2AMEN1RAB9AHPGDNPC1
Ammonia Solution, Strong SCHEMBL10889818 0.83 KMT2A (0.51) KMT2AMEN1RAB9AHPGDNPC1
SCHEMBL10895295 0.83 KMT2A (0.51) KMT2AMEN1RAB9AHPGDNPC1
Dimethylamine SCHEMBL10893052 0.80 ALDH1A1 (0.50) KMT2AMEN1RAB9AHPGDNPC1
SCHEMBL9305001 0.78 KMT2A (0.56) KMT2AMEN1RAB9AHPGDNPC1
SCHEMBL10764766 0.78 MEN1 (0.60) KMT2AMEN1RAB9AHPGDNPC1
SCHEMBL9305760 0.78 KMT2A (0.54) KMT2AMEN1RAB9AHPGDNPC1

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 6 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
US-5152929-A Corrosion inhibitors for water systems CIBA-GEIGY CORPORATION (US) 1992-10-06 US 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-0129506-A2 Heterocyclically substituted thio(cyclo)alkane polycarboxylic acids CIBA-GEIGY AG (CH) 1984-12-27 EP disclosed
EP-0128862-A2 Anti-corrosive coating composition CIBA-GEIGY AG (CH) 1984-12-19 EP disclosed