SCHEMBL8370509

SCHEMBL8370509

O=C1C=C(Nc2ccc(F)cc2)C(=O)c2ncc(-c3ccccn3)nc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
CDK4 P11802 3/20 0.46
MAPT P10636 4/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
GUCY1B2 O75343 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GUCY1A2 P33402 1/20 0.45
GUCY1A1 Q02108 1/20 0.45
GUCY1B1 Q02153 1/20 0.45
TP53 P04637 4/20 0.40
GAA P10253 4/20 0.40
PADI1 Q9ULC6 1/20 0.39
PADI3 Q9ULW8 1/20 0.39
PADI4 Q9UM07 1/20 0.39

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
SCHEMBL8368659 0.89 MAPT (0.48) CASP3SENP8SENP7SENP6CDK4
SCHEMBL8369531 0.87 CASP3 (0.51) CASP3SENP8SENP7SENP6CDK4
SCHEMBL8371662 0.86 CDK4 (0.50) CDK4MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL8367303 0.80 CDK4 (0.45) CASP3SENP8SENP7SENP6CDK4
SCHEMBL8367302 0.77 CDK4 (0.56) CASP3SENP8SENP7SENP6CDK4
SCHEMBL8368953 0.77 SMN1; SMN2 (0.59) CASP3SENP8SENP7SENP6CDK4
SCHEMBL8370506 0.75 MAPT (0.51) CASP3SENP8SENP7SENP6CDK4
SCHEMBL8371701 0.75 SMN1; SMN2 (0.45) CASP3SENP8SENP7SENP6CDK4
SCHEMBL8656092 0.73 MAPT (0.77) CASP3SENP8SENP7SENP6CDK4
SCHEMBL8368813 0.73 CDK4 (0.53) CDK4MAPTKMT2AMEN1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999052365-A1 ANTICANCER AGENTS ELI LILLY AND COMPANY (US) 1999-10-21 WO disclosed