SCHEMBL9134643

SCHEMBL9134643

CSC(=NCc1ccc(Cl)nc1)NC#N

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
MAPKAPK2 P49137 1/20 0.36
NAMPT P43490 2/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DGAT1 O75907 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL8305870 0.83 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KDM4EGAAMAPKAPK2
SCHEMBL7662854 0.83 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2KDM4EGAAMAPT
SCHEMBL739300 0.83 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KDM4EGAAMAPKAPK2
SCHEMBL29441579 0.83 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KDM4EGAAMAPKAPK2
SCHEMBL6527575 0.80 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2KDM4EGAAMAPKAPK2
SCHEMBL10384856 0.77 NAMPT (0.52) ALDH1A1SMN1; SMN2NAMPTL3MBTL1CYP1A2
SCHEMBL9777875 0.77 NAMPT (0.52) ALDH1A1SMN1; SMN2NAMPTL3MBTL1CYP1A2
SCHEMBL2958535 0.77 CHRNB2 (0.41) ALDH1A1SMN1; SMN2KDM4EGAAMAPT
SCHEMBL2958531 0.77 CHRNB2 (0.41) ALDH1A1SMN1; SMN2KDM4EGAAMAPT
SCHEMBL2969080 0.77 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2MAPTL3MBTL1DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0364844-B1 Insecticidally active cyano compounds BAYER AGROCHEM KK (JP) 1994-03-16 EP claimed
US-5066808-A PYRIDYL INSECTICIDALLY ACTIVE CYANO COMPOUNDS NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1991-11-19 US claimed
EP-0364844-A1 Insecticidally active cyano compounds NIHON BAYER AGROCHEM K.K. (JP) 1990-04-25 EP claimed
JP-2209868-A None JP disclosed
US-5384324-A Insecticidally active cyano compounds NIHON BAYER AGROCHEM K.K. (JP) 1995-01-24 US disclosed
EP-0364844-B1 Insecticidally active cyano compounds BAYER AGROCHEM KK (JP) 1994-03-16 EP disclosed
US-5066808-A PYRIDYL INSECTICIDALLY ACTIVE CYANO COMPOUNDS NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1991-11-19 US disclosed
JP-H02209868-A INSECTICIDAL CYANO COMPOUND NIPPON TOKUSHU NOYAKU SEIZO KK 1990-08-21 JP disclosed
EP-0364844-A1 Insecticidally active cyano compounds NIHON BAYER AGROCHEM K.K. (JP) 1990-04-25 EP disclosed