SCHEMBL10695322

SCHEMBL10695322

COCS(=O)(=O)c1[c]cccc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
PSIP1 O75475 1/20 0.32
RIPK1 Q13546 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL159759 0.80 PSIP1 (0.46) PRSS1PRSS2PRSS3PSIP1
SCHEMBL21491104 0.76 PSIP1 (0.32) PRSS1PRSS2PRSS3PSIP1
SCHEMBL3540671 0.76 PSIP1 (0.38) PSIP1RIPK1MAPT
SCHEMBL4602192 0.75 KDM4E (0.31) MAPT
SCHEMBL11562313 0.75 HSD11B1 (0.32) PRSS1PRSS2PRSS3PSIP1MAPT
SCHEMBL1014627 0.74 ALDH1A1 (0.33) PSIP1MAPT
SCHEMBL11565035 0.74 PSIP1 (0.36) PRSS1PRSS2PRSS3PSIP1MAPT
SCHEMBL7813681 0.73 CA1 (0.47) F2PRSS1PRSS2PRSS3MAPT
SCHEMBL6623865 0.73 PSIP1 (0.35) PSIP1MAPT
SCHEMBL6749727 0.73 MAPK1 (0.41) MAPTMAPK1

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-0268178-A1 Pyrrolo-benzimidazoles, medicaments containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-05-25 EP disclosed
US-4176184-A CARDIOTONICS, HYPOTENSIVES, ANTITHROMBOTICS AND ANTIARRHYTHMICS BOEHRINGER INGELHEIM GMBH (DE) 1979-11-27 US disclosed