SCHEMBL25028082

SCHEMBL25028082

C(=C/c1ccc(N(c2ccccc2)c2ccc3c4cccc5c(N(c6ccccc6)c6ccc(/C=C/c7ccccc7)cc6)ccc(c6cccc2c63)c54)cc1)\c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 3/20 0.44
APP P05067 2/20 0.42
CTDSP1 Q9GZU7 1/20 0.36
NFE2L2 Q16236 2/20 0.36
CYP19A1 P11511 2/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
KDR P35968 2/20 0.35
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.34
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
USP2 O75604 1/20 0.34
CTNNB1 P35222 1/20 0.34
ATM Q13315 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
FGFR1 P11362 1/20 0.34

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
SCHEMBL3415611 1.00 RELA (0.44) RELAAPPCTDSP1NFE2L2CYP19A1
SCHEMBL9971758 0.98 RELA (0.46) RELAAPPCTDSP1NFE2L2CYP19A1
SCHEMBL26549662 0.93 RELA (0.42) RELAAPPCTDSP1NFE2L2KDR
SCHEMBL17879391 0.93 RELA (0.42) RELAAPPCTDSP1NFE2L2KDR
SCHEMBL991101 0.93 RELA (0.42) RELAAPPCTDSP1NFE2L2KDR
SCHEMBL6775821 0.91 TRPM8 (0.41) RELAAPPCTDSP1NFE2L2MEN1
SCHEMBL21090037 0.91 RELA (0.44) RELAAPPCTDSP1NFE2L2ALDH1A1
SCHEMBL9971905 0.88 RELA (0.52) RELAAPPCTDSP1NFE2L2CYP19A1
SCHEMBL3433784 0.88 RELA (0.52) RELAAPPCTDSP1NFE2L2CYP19A1
SCHEMBL3414904 0.87 RELA (0.44) RELAAPPCTDSP1NFE2L2CYP19A1

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
US-20230050869-A1 THERMOELECTRIC CONVERSION MATERIAL, AND THERMOELECTRIC CONVERSION ELEMENT PREPARED THEREWITH TOYO INK SC HOLDINGS CO., LTD. (JP) 2023-02-16 US disclosed