SCHEMBL9853999

SCHEMBL9853999

CC(=O)N1C(C(=O)O)CSC1c1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.58
▸ GAA P10253 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ ALDH1A1 P00352 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.47
▸ FFAR2 O15552 3/20 0.44
▸ TDP1 Q9NUW8 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
Acetic Acid SCHEMBL9854087 0.99 POLB (0.57) POLBGAARAB9AALDH1A1KDM4E
SCHEMBL9854093 0.85 POLB (0.46) POLBGAARAB9AALDH1A1KDM4E
SCHEMBL23910562 0.85 POLB (0.72) POLBGAARAB9AALDH1A1KDM4E
SCHEMBL4350452 0.85 POLB (0.72) POLBGAARAB9AALDH1A1KDM4E
SCHEMBL5859631 0.85 POLB (0.72) POLBGAARAB9AALDH1A1KDM4E
SCHEMBL9250005 0.84 ALDH1A1 (0.54) POLBALDH1A1KDM4E
SCHEMBL9250009 0.84 ALDH1A1 (0.54) POLBALDH1A1KDM4E
SCHEMBL9250150 0.83 KDM4E (0.46) POLBGAARAB9AALDH1A1KDM4E
SCHEMBL8870492 0.83 KDM4E (0.46) POLBGAARAB9AALDH1A1KDM4E
SCHEMBL3826056 0.83 KDM4E (0.46) POLBGAARAB9AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0425134-A1 Condensed pyrrolo derivatives, process for their preparation and pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-05-02 — — EP disclosed
Send feedback