SCHEMBL9854093

SCHEMBL9854093

CC(=O)OC(=O)C1CSC(c2cccnc2)N1C(C)=O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.46
▸ GAA P10253 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL9853999 0.85 POLB (0.58) POLBGAARAB9AALDH1A1KDM4E
Acetic Acid SCHEMBL9854087 0.84 POLB (0.57) POLBGAARAB9AALDH1A1KDM4E
SCHEMBL9271459 0.76 ALDH1A1 (0.45) POLBALDH1A1KDM4EMEN1KMT2A
SCHEMBL9259893 0.74 — —
SCHEMBL3826056 0.73 KDM4E (0.46) POLBGAARAB9AALDH1A1KDM4E
SCHEMBL8870492 0.73 KDM4E (0.46) POLBGAARAB9AALDH1A1KDM4E
SCHEMBL9250150 0.73 KDM4E (0.46) POLBGAARAB9AALDH1A1KDM4E
SCHEMBL3827938 0.73 KDM4E (0.46) POLBGAARAB9AALDH1A1KDM4E
SCHEMBL9250005 0.73 ALDH1A1 (0.54) POLBALDH1A1KDM4EMAPTNPSR1
SCHEMBL9250009 0.73 ALDH1A1 (0.54) POLBALDH1A1KDM4EMAPTNPSR1

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
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