SCHEMBL6998322

SCHEMBL6998322

COc1ccccc1-c1csc(C(=O)O)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
DHODH Q02127 2/20 0.44
HPGDS O60760 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
PRKCZ Q05513 1/20 0.40
GPR35 Q9HC97 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
SCHEMBL8187620 0.87 KDM4E (0.51) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL6995942 0.81 TDP1 (0.55) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL27729535 0.79 PRKCZ (0.54) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL6271882 0.77 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL27460897 0.77 KDM4E (0.39) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL1549482 0.77 DHODH (0.55) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL31540409 0.77 DHODH (0.55) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL17258267 0.74 HTT (0.54) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL4082672 0.72 TUBB4A (0.55) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL6909617 0.72 CA2 (0.41) ALDH1A1KDM4EHPGDHSD17B10TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0982308-B1 Derivatives of the 8H-(2,3-b)-pyrrolizine-8-one, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-02-26 EP disclosed
EP-0982308-A1 Derivatives of the 8H-(2,3-b)-pyrrolizine-8-one, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-03-01 EP disclosed