SCHEMBL30259656

SCHEMBL30259656

Cc1cc(Cc2ccc(OC#N)c(C)c2)ccc1OC#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
CA2 P00918 1/20 0.44
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.36
CRHBP P24387 2/20 0.34
CRHR2 Q13324 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34
TUBA1C Q9BQE3 1/20 0.34

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
SCHEMBL727075 1.00 ESR1 (0.44) ESR1ESR2CA2GAAALDH1A1
SCHEMBL8509777 0.92 ESR1 (0.38) ESR1ESR2CA2GAAALDH1A1
SCHEMBL2893712 0.92 ESR1 (0.38) ESR1ESR2CA2GAAALDH1A1
SCHEMBL18961250 0.84 CYP3A4 (0.37) ESR1ESR2CA2GAAALDH1A1
SCHEMBL21462923 0.84 SKP2 (0.39) GAAALDH1A1FFAR4FFAR1MAPT
SCHEMBL3420549 0.80 CSNK2A1 (0.37) ESR1ESR2CA2GAAALDH1A1
SCHEMBL729002 0.78 CA2 (0.41) CA2GAAALDH1A1TUBB4ATUBB
SCHEMBL30423749 0.78 CA2 (0.41) CA2GAAALDH1A1TUBB4ATUBB
SCHEMBL11033634 0.78 ALDH1A1 (0.38) GAAALDH1A1FFAR1KDM4ECYP3A4
SCHEMBL8985167 0.78 GAA (0.44) CA2GAAALDH1A1SMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4543964-A1 RECYCLABLE AND MALLEABLE THERMOSETS ENABLED BY ACTIVATING DORMANT DYNAMIC LINKAGES THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2025-04-30 EP disclosed
EP-4380922-A1 NOVEL BISMALEIMIDE COMPOUNDS HAVING IMPROVED SOLUBILITY AND THEIR USE IN CURABLE COMPOSITIONS Evonik Operations GmbH (DE) 2024-06-12 EP disclosed
WO-2023250039-A1 RECYCLABLE AND MALLEABLE THERMOSETS ENABLED BY ACTIVATING DORMANT DYNAMIC LINKAGES THE REGENTS OF THE UNIVERSITY OF COLORADO A BODY CORPORATE (US) 2023-12-28 WO disclosed
WO-2023011938-A1 NOVEL BISMALEIMIDE COMPOUNDS HAVING IMPROVED SOLUBILITY AND THEIR USE IN CURABLE COMPOSITIONS EVONIK OPERATIONS GMBH (DE) 2023-02-09 WO disclosed