SCHEMBL859611

SCHEMBL859611

NC(=O)N1C[CH]c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
SCN4A P35499 1/20 0.48
SCN5A Q14524 1/20 0.48
SCN9A Q15858 1/20 0.48
P2RX4 Q99571 7/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
AMPD2 Q01433 6/20 0.38
HSD17B3 P37058 1/20 0.38
NPC1 O15118 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
PABPC1 P11940 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4858158 0.81 TSHR (0.46) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL1286806 0.81 LMNA (0.55) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL3838005 0.81 NOTUM (0.49) HSD17B3NOTUM
Hydrochloric Acid SCHEMBL28145471 0.80 LMNA (0.53) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL9183671 0.77 P2RX4 (0.53) LMNAMAPK1P2RX4BCHENPC1
SCHEMBL28223433 0.73 LMNA (0.49) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL6526577 0.73 LMNA (0.47) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL25961782 0.72 LMNA (0.56) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL1068670 0.69 LMNA (0.37) LMNATSHRMAPK1SCN4ASCN5A
Indole SCHEMBL28167409 0.69 TRPA1 (0.44) LMNATSHRMAPK1SCN4ASCN5A

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-1603883-B1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-03-28 EP disclosed