SCHEMBL29463237

SCHEMBL29463237

CCOC(=O)c1cc2ccccc2n1C(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 6/20 0.57
NOD1 Q9Y239 6/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
KDM4E B2RXH2 2/20 0.55
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
F10 P00742 2/20 0.51
TSHR P16473 3/20 0.47
PTGER4 P35408 1/20 0.44
ATM Q13315 2/20 0.44
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB2 P47870 2/20 0.43

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
SCHEMBL5794123 1.00 NOD2 (0.57) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL7881984 0.84 ALDH1A1 (0.50) KMT2AKDM4EF10TSHRALDH1A1
SCHEMBL28264546 0.82 MCL1 (0.44) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL7884814 0.82 KDM4E (0.46) MEN1KMT2AKDM4ETSHRALDH1A1
SCHEMBL23045620 0.82 ATM (0.44) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL31383475 0.82 ATM (0.44) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL8689671 0.82 NOD2 (0.47) NOD2NOD1KDM4ETSHRATM
SCHEMBL7806682 0.82 KDM4E (0.55) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL3651263 0.81 NOD2 (0.65) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL1092502 0.81 KDM4E (0.62) NOD2NOD1MEN1KMT2AKDM4E

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
CN-114302874-A Indole carboxamide derivatives and pharmaceutical compositions comprising same 国际药品株式会社 2022-04-08 CN disclosed