SCHEMBL8650349

SCHEMBL8650349

N#CC(C#N)=Cc1cccoc1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.49
MAPT P10636 7/20 0.41
KMT2A Q03164 7/20 0.41
MEN1 O00255 6/20 0.41
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 6/20 0.41
POLB P06746 3/20 0.41
LMNA P02545 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
APP P05067 3/20 0.39
EGFR P00533 2/20 0.39
TDP1 Q9NUW8 2/20 0.38
THRB P10828 2/20 0.38
RECQL P46063 2/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CISD1 Q9NZ45 1/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL3006584 0.73 KMT2A (0.59) TRPA1MAPTKMT2AMEN1KDM4E
SCHEMBL7749485 0.70
SCHEMBL3800079 0.69 TRPA1 (0.46) TRPA1MAPTKMT2AMEN1KDM4E
SCHEMBL3801225 0.69 TRPA1 (0.46) TRPA1MAPTKMT2AMEN1KDM4E
SCHEMBL29109510 0.69
SCHEMBL10144182 0.68 HPGD (0.45) TRPA1MAPTKMT2AMEN1KDM4E
SCHEMBL5805024 0.68 KMT2A (0.53) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL5805026 0.68 KMT2A (0.53) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL8458208 0.67 TRPA1 (0.62) TRPA1MAPTKMT2AMEN1KDM4E
SCHEMBL29404696 0.66 TRPA1 (1.00) TRPA1MAPTKMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5688906-A Highly efficient nonlinear optical polyimides ENICHEM S.P.A. (IT) 1997-11-18 US claimed
US-5679763-A Polyquinoline-based nonlinear optical materials ENICHEM S.P.A. (IT) 1997-10-21 US claimed
EP-0729056-A1 Polyquinoline-based nonlinear optical materials ENICHEM S.p.A. (IT) 1996-08-28 EP claimed
EP-0647874-A1 Highly efficient nonlinear optical polyimides ENICHEM S.p.A. (IT) 1995-04-12 EP claimed
US-5736592-A Process for intramolecularly condensing a non-linear optical polyamic acid composition ENICHEM S.P.A. (IT) 1998-04-07 US disclosed
US-5688906-A Highly efficient nonlinear optical polyimides ENICHEM S.P.A. (IT) 1997-11-18 US disclosed
US-5679763-A Polyquinoline-based nonlinear optical materials ENICHEM S.P.A. (IT) 1997-10-21 US disclosed
EP-0729056-A1 Polyquinoline-based nonlinear optical materials ENICHEM S.p.A. (IT) 1996-08-28 EP disclosed
EP-0727692-A2 Process for intramolecularly condensing a non-linear optical polyamic acid composition ENICHEM S.p.A. (IT) 1996-08-21 EP disclosed
EP-0647874-A1 Highly efficient nonlinear optical polyimides ENICHEM S.p.A. (IT) 1995-04-12 EP disclosed