SCHEMBL10445301

SCHEMBL10445301

C=C(C)c1ccccc1.C=CC=CC=C(C)C#N

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ AKT1 P31749 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ XBP1 P17861 1/20 0.30
▸ NPSR1 Q6W5P4 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
Styrene SCHEMBL10588140 0.83 ALDH1A1 (0.45) KMT2AL3MBTL1ALDH1A1MAPTMAPK1
SCHEMBL643646 0.79 — —
SCHEMBL19228702 0.79 — —
Acrylonitrile SCHEMBL9079608 0.76 PDE4A (0.37) KMT2AL3MBTL1ALDH1A1MAPTMAPK1
Acrylonitrile SCHEMBL8673664 0.76 AKT1 (0.39) KMT2AL3MBTL1ALDH1A1MAPTMAPK1
Acrylonitrile SCHEMBL603162 0.76 AKT1 (0.39) KMT2AL3MBTL1ALDH1A1MAPTMAPK1
SCHEMBL28174232 0.75 TDP1 (0.50) KMT2AL3MBTL1ALDH1A1MAPTMAPK1
Benzene SCHEMBL11589819 0.75 AKT1 (0.44) KMT2AALDH1A1MAPTMAPK1MEN1
Butadiene SCHEMBL9246918 0.75 AKT1 (0.44) KMT2AALDH1A1MAPTMAPK1MEN1
Butadiene SCHEMBL2781676 0.75 AKT1 (0.44) KMT2AALDH1A1MAPTMAPK1MEN1

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-0359037-A2 Low-viscosity polyamide mouldings and mixtures BAYER AG (DE) 1990-03-21 — — EP disclosed
Send feedback