SCHEMBL29644723

SCHEMBL29644723

CCCN1C(=O)C(c2ccc3ccccc3c2)=C(c2ccc3ccccc3c2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.44
HTR1D P28221 1/20 0.40
CYP1A2 P05177 3/20 0.40
GMNN O75496 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
CNR1 P21554 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
CNR2 P34972 1/20 0.40
THPO P40225 1/20 0.40
MTOR P42345 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
HIF1A Q16665 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL14560460 0.79 NR1H2 (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL29644698 0.73 PTGS2 (0.53) LMNAHPGDALOX15TSHRMAPK1
SCHEMBL14560461 0.69 LCK (0.53) TSHRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL886480 0.69 GLS (0.61) CYP1A2CYP2C19MEN1KMT2ASMN1; SMN2
SCHEMBL29683253 0.69 GLS (0.61) CYP1A2CYP2C19MEN1KMT2ASMN1; SMN2
SCHEMBL14560545 0.68 DRD2 (0.50) ALDH1A1SMN1; SMN2DRD2NPC1RAB9A
SCHEMBL14560466 0.68 ALDH1A1 (0.53) CNR1CNR2ALDH1A1
SCHEMBL13574906 0.68 KDM4E (0.58) CYP1A2LMNAHPGDTSHRCYP2C19
Bromide SCHEMBL17510030 0.67 GLS (0.59) CYP1A2CYP2C19MEN1KMT2ASMN1; SMN2
SCHEMBL14560467 0.67 CDC25A (0.54) CNR2ALDH1A1

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-114456100-A Method for preparing maleimide through cyclization of aryl acetaldehyde and primary amine 长沙资材科技有限公司 2022-05-10 CN disclosed