SCHEMBL2229704

SCHEMBL2229704

C=CC(CC#N)Nc1ccccc1CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ GAA P10253 1/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35
▸ POLB P06746 3/20 0.35
▸ FPR1 P21462 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ GRIN2D O15399 1/20 0.33
▸ GRIN3B O60391 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2A Q12879 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ GRIN2C Q14957 1/20 0.33

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
SCHEMBL2228853 0.82 ALDH1A1 (0.40) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL2228316 0.75 ALDH1A1 (0.36) MAPTALDH1A1GAATAS1R3TAS1R1
SCHEMBL27855219 0.74 TDP1 (0.36) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL11204634 0.73 FPR1 (0.42) MAPTALDH1A1GAATAS1R3TAS1R1
SCHEMBL12524706 0.70 ALDH1A1 (0.44) MAPTALDH1A1GAATAS1R3TAS1R1
SCHEMBL9501212 0.69 ALDH1A1 (0.47) MAPTALDH1A1GAATAS1R3TAS1R1
SCHEMBL2226887 0.69 SMN1; SMN2 (0.39) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL30316736 0.68 ALDH1A1 (0.46) MAPTALDH1A1GAATAS1R3TAS1R1
SCHEMBL8097565 0.68 ALDH1A1 (0.46) MAPTALDH1A1GAATAS1R3TAS1R1
SCHEMBL19038256 0.68 ALDH1A1 (0.46) MAPTALDH1A1GAATAS1R3TAS1R1

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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