SCHEMBL8633053

SCHEMBL8633053

CC(C)(C)C(=O)Nc1ncc2c(n1)CCC(=NOCc1cccc(C(F)(F)F)c1)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
NR3C2 P08235 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MAOB P27338 3/20 0.37
IGF1R P08069 2/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
PLK1 P53350 1/20 0.36
CCNA1 P78396 1/20 0.36
JAK2 O60674 3/20 0.36
FFAR4 Q5NUL3 2/20 0.36
SRC P12931 2/20 0.36
FFAR1 O14842 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL8990302 0.85 EGFR (0.39) NR3C2MAOBFFAR4FFAR1L3MBTL1
SCHEMBL8990299 0.85 EGFR (0.39) NR3C2MAOBFFAR4FFAR1L3MBTL1
SCHEMBL8635263 0.76 ADORA1 (0.38) CCNA2CDK2PLK1CCNA1ALDH1A1
SCHEMBL8633321 0.72 MAPT (0.31) ALDH1A1MAPT
SCHEMBL8634113 0.70 IDO1 (0.44) MAOB
SCHEMBL8634117 0.70 IDO1 (0.44) MAOB
SCHEMBL8637305 0.68 USP2 (0.38) CCNA2CDK2L3MBTL1ALDH1A1GAA
SCHEMBL4382642 0.65 TACR1 (0.48) MAOBL3MBTL1ALDH1A1NR4A2MAPT
SCHEMBL4410979 0.65 MEN1 (0.48) MAOBFFAR4FFAR1NR4A2MAPT
SCHEMBL4395452 0.64 FAAH (0.63) ALDH1A1GAAMAPTHTT

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
US-5712281-A Insecticidal substituted-2,4-diamino-5,6,7,8-tetrahydroquinazolines FMC CORPORATION (US) 1998-01-27 US disclosed