SCHEMBL9305076

SCHEMBL9305076

COCC(C(=O)O)C(Sc1nc2ccccc2[nH]1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.60
KMT2A Q03164 4/20 0.53
POLB P06746 2/20 0.50
LMNA P02545 3/20 0.47
ALDH1A1 P00352 2/20 0.45
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
HIF1A Q16665 1/20 0.44
MEN1 O00255 2/20 0.44
TP53 P04637 1/20 0.43
AR P10275 1/20 0.43
MPO P05164 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL8972839 0.86 SMN1; SMN2 (0.64) SMN1; SMN2KMT2APOLBLMNAALDH1A1
SCHEMBL9305843 0.85 SMN1; SMN2 (0.61) SMN1; SMN2KMT2APOLBLMNAALDH1A1
SCHEMBL8972983 0.84 SMN1; SMN2 (0.60) SMN1; SMN2KMT2APOLBLMNARAB9A
SCHEMBL10867320 0.84 SMN1; SMN2 (0.60) SMN1; SMN2KMT2APOLBLMNAALDH1A1
SCHEMBL8972735 0.80 SMN1; SMN2 (0.72) SMN1; SMN2KMT2APOLBLMNAALDH1A1
SCHEMBL10872581 0.77 POLB (0.70) SMN1; SMN2KMT2APOLBLMNAALDH1A1
SCHEMBL10866550 0.77 SMN1; SMN2 (0.54) SMN1; SMN2KMT2APOLBLMNAALDH1A1
SCHEMBL10640951 0.76 SMN1; SMN2 (0.56) SMN1; SMN2KMT2APOLBLMNARAB9A
SCHEMBL757400 0.76 KMT2A (0.67) SMN1; SMN2KMT2APOLBLMNAALDH1A1
SCHEMBL11019032 0.76 SMN1; SMN2 (0.66) SMN1; SMN2KMT2APOLBLMNARAB9A

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 5 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