SCHEMBL11116599

SCHEMBL11116599

N#CCc1cccn1CCO

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL11198523 0.89 MAP4K4 (0.33)
SCHEMBL11202223 0.88 TDP1 (0.31)
SCHEMBL11345996 0.81
SCHEMBL11195177 0.79
SCHEMBL11647597 0.79 ALDH1A1 (0.40)
SCHEMBL28133239 0.78 CA1 (0.34) CA1CA2
SCHEMBL11642883 0.77 KDM4E (0.35)
SCHEMBL11437461 0.75 NLRP3 (0.36)
SCHEMBL543197 0.75 CA1 (0.36) CA1CA2
SCHEMBL17260749 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4457941-A RETINOPATHY, NEUROPATHY, NEPHROPATHY SYNTEX (U.S.A.) INC. (US) 1984-07-03 US disclosed
US-4454151-A Use of pyrrolo pyrroles in treatment of ophthalmic diseases SYNTEX (U.S.A.) INC. (US) 1984-06-12 US disclosed
EP-0000649-B1 5-SUBSTITUTED-1,2-DIHYDRO-3H-PYRROLO(1,2-A)PYRROLE-1-CARBONITRILES AND PROCESS FOR THEIR CONVERSION TO THE CORRESPONDING 1-CARBOXYLIC ACIDS SYNTEX (U.S.A.) INC. (US) 1981-03-25 EP disclosed
US-4232038-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS, AND MUSCLE RELAXANTS SYNTEX (U.S.A.) INC. (US) 1980-11-04 US disclosed
EP-0000649-A1 5-substituted-1,2-dihydro-3H-pyrrolo(1,2-a)pyrrole-1-carbonitriles and process for their conversion to the corresponding 1-carboxylic acids SYNTEX (U.S.A.) INC. (US) 1979-02-07 EP disclosed