SCHEMBL8305870

SCHEMBL8305870

C/C(=N\Cc1ccc(Cl)nc1)NC#N

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
POLB P06746 2/20 0.37
CHRNA7 P36544 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPKAPK2 P49137 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
SCHEMBL739300 1.00 ALDH1A1 (0.47) ALDH1A1KDM4EGAASMN1; SMN2MAPT
SCHEMBL29441579 1.00 ALDH1A1 (0.47) ALDH1A1KDM4EGAASMN1; SMN2MAPT
SCHEMBL6527575 0.85 ALDH1A1 (0.40) ALDH1A1KDM4EGAASMN1; SMN2MAPT
SCHEMBL9134643 0.83 ALDH1A1 (0.41) ALDH1A1KDM4EGAASMN1; SMN2MAPT
SCHEMBL8803706 0.83 ALDH1A1 (0.46) ALDH1A1KDM4EGAASMN1; SMN2MAPT
SCHEMBL2123602 0.77 ALDH1A1 (0.44) ALDH1A1KDM4EGAASMN1; SMN2MAPT
SCHEMBL1405688 0.77 ALDH1A1 (0.44) ALDH1A1KDM4EGAASMN1; SMN2MAPT
SCHEMBL30466039 0.77 ALDH1A1 (0.44) ALDH1A1KDM4EGAASMN1; SMN2MAPT
SCHEMBL5198321 0.76 NOS2 (0.50) ALDH1A1KDM4EGAASMN1; SMN2MAPT
SCHEMBL5198326 0.76 NOS2 (0.50) ALDH1A1KDM4EGAASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0456826-B1 AMINE DERIVATIVES NIPPON SODA CO (JP) 1999-01-07 EP disclosed
US-5612358-A Pyridine compouds which have useful insecticidal activity NIPPON SODA CO., LTD. (JP) 1997-03-18 US disclosed
US-5304566-A Pyridine compounds which have useful insecticidal utility NIPPON SODA CO., LTD (JP) 1994-04-19 US disclosed
EP-0456826-A1 AMINE DERIVATIVES NIPPON SODA CO., LTD. (JP) 1991-11-21 EP disclosed
WO-1991004965-A1 AMINE DERIVATIVES NIPPON SODA CO., LTD. (JP) 1991-04-18 WO disclosed