SCHEMBL9303824

SCHEMBL9303824

O=C(O)CC(C(=O)O)C(CSc1nc2ccccc2[nH]1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.67
RAB9A P51151 7/20 0.57
SMN1; SMN2 Q16637 7/20 0.57
BCHE P06276 1/20 0.52
NPC1 O15118 6/20 0.52
EPHX2 P34913 1/20 0.51
HPGD P15428 1/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 2/20 0.50
AR P10275 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL8972674 0.86 KMT2A (0.68) KMT2ARAB9ASMN1; SMN2BCHENPC1
SCHEMBL8972983 0.82 SMN1; SMN2 (0.60) KMT2ARAB9ASMN1; SMN2BCHENPC1
SCHEMBL29770390 0.81 KMT2A (1.00) KMT2ARAB9ASMN1; SMN2BCHENPC1
SCHEMBL3515244 0.81 KMT2A (1.00) KMT2ARAB9ASMN1; SMN2BCHENPC1
SCHEMBL11021423 0.80 KMT2A (0.63) KMT2ARAB9ASMN1; SMN2BCHENPC1
SCHEMBL10821280 0.80 SMN1; SMN2 (0.69) KMT2ARAB9ASMN1; SMN2BCHENPC1
SCHEMBL9306658 0.80 SMN1; SMN2 (0.57) KMT2ARAB9ASMN1; SMN2BCHENPC1
SCHEMBL10640951 0.79 SMN1; SMN2 (0.56) KMT2ARAB9ASMN1; SMN2BCHENPC1
SCHEMBL757400 0.79 KMT2A (0.67) KMT2ARAB9ASMN1; SMN2BCHENPC1
SCHEMBL9304818 0.79 KMT2A (0.61) KMT2ARAB9ASMN1; SMN2BCHENPC1

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