SCHEMBL9308094

SCHEMBL9308094

CCCC(Sc1nc2ccccc2[nH]1)C(CC(=O)O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.57
KMT2A Q03164 4/20 0.53
POLB P06746 4/20 0.48
LMNA P02545 1/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
TXN P10599 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HIF1A Q16665 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
SCHEMBL11037773 0.91 SMN1; SMN2 (0.52) SMN1; SMN2KMT2APOLBLMNANPC1
SCHEMBL10764336 0.83 KMT2A (0.67) SMN1; SMN2KMT2APOLBLMNANPC1
SCHEMBL8972983 0.82 SMN1; SMN2 (0.60) SMN1; SMN2KMT2APOLBLMNANPC1
SCHEMBL754927 0.81 SMN1; SMN2 (0.65) SMN1; SMN2KMT2APOLBLMNANPC1
SCHEMBL9306658 0.80 SMN1; SMN2 (0.57) SMN1; SMN2KMT2APOLBLMNANPC1
SCHEMBL10640951 0.79 SMN1; SMN2 (0.56) SMN1; SMN2KMT2APOLBLMNANPC1
SCHEMBL757400 0.79 KMT2A (0.67) SMN1; SMN2KMT2APOLBLMNANPC1
SCHEMBL10642970 0.79 SMN1; SMN2 (0.47) SMN1; SMN2KMT2APOLBLMNAMEN1
SCHEMBL10894311 0.78 SMN1; SMN2 (0.68) SMN1; SMN2KMT2APOLBLMNANPC1
SCHEMBL9304705 0.78 KMT2A (0.67) SMN1; SMN2KMT2APOLBLMNANPC1

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 7 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-4696763-A PAINTS, BLENDS CIBA-GEIGY CORPORATION (US) 1987-09-29 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