SCHEMBL6593091

SCHEMBL6593091

Cc1oncc1N(C)C(=O)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.33
LMNA P02545 2/20 0.32
CSF1R P07333 1/20 0.32
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
GMNN O75496 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
HTR1A P08908 1/20 0.30
THRB P10828 1/20 0.30
PIM1 P11309 1/20 0.30
CYP2C9 P11712 1/20 0.30
MAOA P21397 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2A P28223 1/20 0.30
AGTR1 P30556 1/20 0.30
CCKBR P32239 1/20 0.30
MC4R P32245 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL1447777 0.79 MLYCD (0.40) MLYCDLMNAHTTNPSR1
SCHEMBL6594480 0.72 ALDH1A1 (0.34) LMNACSF1RNPC1RAB9AGMNN
SCHEMBL4021481 0.70
SCHEMBL1448131 0.68 TSHR (0.34) MLYCDLMNANPC1RAB9AGMNN
SCHEMBL1448022 0.67 LMNA (0.37) LMNAHTTNPSR1
SCHEMBL12340305 0.67 RAB9A (0.45) LMNACSF1RNPC1RAB9AGMNN
SCHEMBL4021989 0.66 TRPM8 (0.36) LMNA
SCHEMBL4021001 0.66 FAAH (0.31)
SCHEMBL24011586 0.66 SIGMAR1 (0.45) LMNA
SCHEMBL19987474 0.66 RAB9A (0.39) NPC1RAB9ATP53CYP1A2CYP2C19

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
EP-1351958-B1 IMIDAZOLO-5-YL-2-ANILINO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF THE CELL PROLIFERATION ASTRAZENECA AB (SE) 2004-06-16 EP disclosed