SCHEMBL9304778

SCHEMBL9304778

O=C(O)CC(C(=O)O)C(Sc1nc2ccccc2[nH]1)c1ccc(C(=O)O)cc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
KMT2A Q03164 4/20 0.47
PTPN1 P18031 1/20 0.46
POLB P06746 3/20 0.44
ALDH1A1 P00352 4/20 0.43
GCGR P47871 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43
ALPL P05186 1/20 0.43
ALPG P10696 1/20 0.43
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL10865780 0.84 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AKMT2APTPN1
SCHEMBL9306658 0.82 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AKMT2APOLB
SCHEMBL10867209 0.80 NPC1 (0.44) SMN1; SMN2NPC1RAB9AKMT2APTPN1
SCHEMBL10866653 0.78 RAB9A (0.47) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL9305214 0.78 MEN1 (0.47) SMN1; SMN2NPC1RAB9AKMT2APTPN1
SCHEMBL8972983 0.77 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AKMT2APOLB
SCHEMBL10640951 0.74 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AKMT2APOLB
SCHEMBL757400 0.74 KMT2A (0.67) SMN1; SMN2NPC1RAB9AKMT2APOLB
SCHEMBL10764336 0.73 KMT2A (0.67) SMN1; SMN2NPC1RAB9AKMT2APOLB
SCHEMBL9304705 0.73 KMT2A (0.67) SMN1; SMN2NPC1RAB9AKMT2APOLB

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