SCHEMBL25759331

SCHEMBL25759331

Cc1cc2c(cc1C)C(=C(C#N)C#N)/C(=C\C(C)C)C2=O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
EGFR P00533 3/20 0.31

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
SCHEMBL25759334 0.87 ALDH1A1 (0.33) PKMALDH1A1GAAMAPTEGFR
SCHEMBL20821300 0.87 ALDH1A1 (0.33) PKMALDH1A1GAAMAPTEGFR
SCHEMBL24960484 0.83 MAPT (0.36) PKMALDH1A1GAAMAPTMEN1
SCHEMBL1104969 0.82 KMT2A (0.39) PKMALDH1A1GAAMAPTMEN1
SCHEMBL25759327 0.82 KMT2A (0.39) PKMALDH1A1GAAMAPTMEN1
SCHEMBL25612604 0.82 MAPT (0.36) PKMALDH1A1GAAMAPTMEN1
SCHEMBL23922162 0.76
SCHEMBL25759329 0.74
SCHEMBL20821302 0.73 PTPRC (0.37) ALDH1A1MAPTMEN1KMT2A
SCHEMBL20821301 0.71 MAPT (0.35) PKMALDH1A1GAAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4199128-A1 A COMPOSITION FOR DETECTION AND/OR EMISSION OF CIRCULARLY POLARIZED LIGHT IN NEAR-INFRARED REGION AND A DEVICE COMPRISING SUCH A COMPOSITION Gao, Feng (SE) 2023-06-21 EP disclosed