SCHEMBL2228853

SCHEMBL2228853

C=CC(CC#N)Nc1ccccc1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.40
▸ SGMS2 Q8NHU3 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ GAA P10253 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ DHODH Q02127 1/20 0.33
▸ FFAR3 O14843 1/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ HPGD P15428 3/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ALOX12 P18054 1/20 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
SCHEMBL2229704 0.82 MAPT (0.35) ALDH1A1MAPTHTTGAALMNA
SCHEMBL2226921 0.79 ALDH1A1 (0.39) ALDH1A1SGMS2MAPTHTTGAA
SCHEMBL29067537 0.79 MAPT (0.41) ALDH1A1MAPTHTTGAAKDM4E
SCHEMBL27855219 0.77 TDP1 (0.36) ALDH1A1SGMS2MAPTLMNAKDM4E
SCHEMBL2228257 0.73 ALDH1A1 (0.41) ALDH1A1SGMS2MAPTHTTGAA
SCHEMBL2227805 0.72 ALDH1A1 (0.40) ALDH1A1SGMS2MAPTHTTGAA
SCHEMBL20206272 0.69 NPC1 (0.42) ALDH1A1MAPTHTTGAALMNA
SCHEMBL2226758 0.69 ALDH1A1 (0.43) ALDH1A1HTTLMNAMEN1KMT2A
SCHEMBL27855263 0.68 SMN1; SMN2 (0.49) MAPTGAAKDM4EMEN1KMT2A
SCHEMBL2226887 0.68 SMN1; SMN2 (0.39) ALDH1A1MAPTHTTLMNAKDM4E

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-2382240-A2 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP Bridgestone Corporation (JP) 2011-11-02 — — EP disclosed
WO-2011091346-A2 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2011-07-28 — — WO disclosed
WO-2010085622-A9 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2010-12-23 — — WO disclosed
WO-2010085622-A2 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2010-07-29 — — WO disclosed
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