SCHEMBL7980940

SCHEMBL7980940

C=CCN(CC=C)c1cnnnc1Nc1ccccc1/C=C/c1ccccc1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SNCA P37840 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
SCHEMBL7980946 1.00 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2MEN1KMT2ASNCA
SCHEMBL4940765 0.72 NFE2L2 (0.43) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4940752 0.72 NFE2L2 (0.43) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7980950 0.72 ALDH1A1 (0.30) ALDH1A1SMN1; SMN2
SCHEMBL7717172 0.68 NFE2L2 (0.39) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8644576 0.67 MEN1 (0.38) MEN1KMT2ASNCA
SCHEMBL8644581 0.67 MEN1 (0.38) MEN1KMT2ASNCA
SCHEMBL2492770 0.67 NFE2L2 (0.54) SNCA
SCHEMBL285342 0.67 TRPA1 (0.38) MEN1KMT2ASNCA
SCHEMBL285344 0.67 TRPA1 (0.38) MEN1KMT2ASNCA

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