SCHEMBL6663072

SCHEMBL6663072

CCc1cc2cccnc2n1CC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.41
NTRK3 Q16288 1/20 0.41
ATM Q13315 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
MTNR1A P48039 1/20 0.40
CNR2 P34972 8/20 0.39
CNR1 P21554 5/20 0.39
PARP1 P09874 1/20 0.38
GAA P10253 1/20 0.38
POLB P06746 1/20 0.38
PABPC1 P11940 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL13368743 0.90 MEN1 (0.43) NTRK1NTRK3ATMKDM4EMEN1
SCHEMBL13368799 0.79 KDM4E (0.41) NTRK1NTRK3ATMKDM4EMEN1
SCHEMBL18969513 0.75 CNR2 (0.45) NTRK1NTRK3ATMKDM4EMEN1
SCHEMBL19841330 0.74 RORC (0.41) ATMKDM4EMEN1KMT2ACYP1A2
SCHEMBL23159547 0.74 KDM4E (0.43) NTRK1NTRK3ATMKDM4EMEN1
SCHEMBL16293428 0.72 ATM (0.45) NTRK1NTRK3ATMKDM4EMEN1
SCHEMBL3757847 0.72 GPR35 (0.48) NTRK1NTRK3ATMKDM4EMEN1
SCHEMBL21167461 0.71 NPC1 (0.37) NTRK1NTRK3ATMKDM4EMEN1
SCHEMBL19121108 0.71 KDM4E (0.40) ATMKDM4EMEN1KMT2ACYP1A2
SCHEMBL12726146 0.71 KDM4E (0.45) NTRK1KDM4EMTNR1APARP1GAA

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-2004013139-A2 PROCESS FOR PREPARING 7-AZAINDOLES EISAI CO., LTD (JP) 2004-02-12 WO disclosed