SCHEMBL9305001

SCHEMBL9305001

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

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.56
RAB9A P51151 4/20 0.56
MEN1 O00255 4/20 0.56
HPGD P15428 3/20 0.56
NPC1 O15118 2/20 0.56
ALDH1A1 P00352 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
TSHR P16473 2/20 0.52
GFER P55789 1/20 0.52
MAPT P10636 2/20 0.48
DDAH1 O94760 1/20 0.47
ADRA2C P18825 1/20 0.47
LMNA P02545 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
F2 P00734 1/20 0.47
MIF P14174 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL9307132 0.83 RAB9A (0.52) KMT2ARAB9AMEN1HPGDNPC1
SCHEMBL8972330 0.82 KMT2A (0.52) KMT2ARAB9AMEN1HPGDNPC1
SCHEMBL8972792 0.82 ALDH1A1 (0.51) KMT2ARAB9AMEN1HPGDNPC1
SCHEMBL10872064 0.81 KMT2A (0.55) KMT2ARAB9AMEN1HPGDNPC1
SCHEMBL8972725 0.81 KMT2A (0.55) KMT2ARAB9AMEN1HPGDNPC1
SCHEMBL10895295 0.81 KMT2A (0.51) KMT2ARAB9AMEN1HPGDNPC1
Ammonia Solution, Strong SCHEMBL10889818 0.81 KMT2A (0.51) KMT2ARAB9AMEN1HPGDNPC1
SCHEMBL11561776 0.80 RAB9A (0.57) KMT2ARAB9AMEN1HPGDNPC1
SCHEMBL9306421 0.80 KMT2A (0.50) KMT2ARAB9AMEN1HPGDNPC1
SCHEMBL9307413 0.80 KMT2A (0.50) KMT2ARAB9AMEN1HPGDNPC1

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 3 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