SCHEMBL22206809

SCHEMBL22206809

CC(C=N)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.48
TAAR1 Q96RJ0 3/20 0.42
ADRA2A P08913 1/20 0.41
ADRA2C P18825 1/20 0.41
CYP2D6 P10635 1/20 0.41
LMNA P02545 1/20 0.41
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.39
DPP4 P27487 2/20 0.39
F2 P00734 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL9325711 0.80 TRPA1 (0.50) TRPA1TAAR1ADRA2AADRA2CCYP2D6
SCHEMBL185170 0.78 TRPA1 (0.50) TRPA1TAAR1ADRA2AADRA2CCYP2D6
SCHEMBL21331657 0.78 TRPA1 (0.50) TRPA1TAAR1ADRA2AADRA2CCYP2D6
SCHEMBL14456775 0.78 TYR (0.48) TRPA1CYP2D6LMNAHIF1AKDM4E
SCHEMBL10012903 0.76 TRPA1 (0.47) TRPA1TAAR1ADRA2AADRA2CCYP2D6
SCHEMBL496436 0.76 TRPA1 (0.47) TRPA1TAAR1ADRA2AADRA2CCYP2D6
SCHEMBL1462503 0.76 TRPA1 (0.47) TRPA1TAAR1ADRA2AADRA2CLMNA
SCHEMBL6860167 0.76 TRPA1 (0.47) TRPA1TAAR1ADRA2AADRA2CCYP2D6
SCHEMBL9719434 0.76 TRPA1 (0.47) TRPA1TAAR1ADRA2AADRA2CCYP2D6
SCHEMBL1462504 0.76 TRPA1 (0.47) TRPA1TAAR1ADRA2AADRA2CLMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11459242-B2 Stabilized electrodes for ion batteries and methods of making the same ALLIANCE FOR SUSTAINABLE ENERGY, LLC (US) 2022-10-04 US disclosed
WO-2020186220-A1 COMPOUNDS AS INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR IMMUNOPHAGE BIOMEDICAL CO., LTD. (CN) 2020-09-17 WO disclosed
US-20200223704-A1 STABILIZED ELECTRODES FOR ION BATTERIES AND METHODS OF MAKING THE SAME Alliance for Energy Innovation, LLC 2020-07-16 US disclosed