SCHEMBL9833446

SCHEMBL9833446

CCCc1c(Cl)cccc1NN=C(C#N)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.48
MEN1 O00255 7/20 0.48
KMT2A Q03164 7/20 0.48
HTT P42858 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HPGD P15428 1/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
ALOX12 P18054 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.46
LMNA P02545 3/20 0.46
GAA P10253 1/20 0.46
GFER P55789 1/20 0.46
PTK2B Q14289 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 1/20 0.43
RAPGEF3 O95398 2/20 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
SCHEMBL9833441 1.00 MAPT (0.48) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL9832552 0.93 MAPT (0.46) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL9832555 0.93 MAPT (0.46) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL9832804 0.80 MAPT (0.50) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL9832799 0.80 MAPT (0.50) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL6508195 0.79 MAPT (0.53) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL6508197 0.79 MAPT (0.53) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL9833843 0.76 MAPT (0.48) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL9834127 0.76 MAPT (0.48) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL9833839 0.76 MAPT (0.48) MAPTMEN1KMT2AHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0205272-B1 CINNOLINE DERIVATIVES ICI AMERICAS INC. (US) 1991-08-14 EP disclosed
US-4886800-A Substituted cinnoline derivatives as CNS depressants ICI AMERICAS INC. (US) 1989-12-12 US disclosed
EP-0205272-A2 Cinnoline derivatives ICI AMERICAS INC. (US) 1986-12-17 EP disclosed