SCHEMBL7980950

SCHEMBL7980950

C=CCN(CC=C)c1cccc(C=Cc2ccccc2)c1Nc1ccnnn1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL472841 0.78 NFE2L2 (0.34)
SCHEMBL4940765 0.73 NFE2L2 (0.43) ALDH1A1SMN1; SMN2
SCHEMBL4940752 0.73 NFE2L2 (0.43) ALDH1A1SMN1; SMN2
SCHEMBL285344 0.72 TRPA1 (0.38)
SCHEMBL285342 0.72 TRPA1 (0.38)
SCHEMBL7980940 0.72 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2
SCHEMBL7980946 0.72 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2
SCHEMBL8644583 0.71 CNR1 (0.32)
SCHEMBL7717172 0.71 NFE2L2 (0.39) ALDH1A1SMN1; SMN2
SCHEMBL11861516 0.71 PLAU (0.30)

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-2027336-B1 METHOD FOR STABILIZING THE WHITENESS OF FLUORESCENT WHITENING AGENT(S)(FWA) INCLUDED IN SURFACE-TREATMENT SIZE/COATING SLIP FOR PAPER AND OF SURFACE-TREATMENT LAYERS FORMED THEREOF HOLMEN AB (SE) 2018-06-06 EP disclosed
WO-2001044210-A1 ALLYL- AND DIALLYLAMINOTRIAZINYLAMINOSTILBENE DERIVATIVES AND THEIR USE AS OPTICAL BRIGHTENING CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-06-21 WO disclosed