SCHEMBL27414992

SCHEMBL27414992

C=CC(=C)S/C(=C\C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.41
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
XBP1 P17861 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 1/20 0.31
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
AKR1C1 Q04828 1/20 0.30
EGFR P00533 1/20 0.30

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
SCHEMBL10941588 0.81 MEN1 (0.40) AKT1MEN1KMT2AMAPTATM
SCHEMBL19677236 0.80 CES2 (0.35) AKT1MEN1KMT2ALMNAMAPT
SCHEMBL16900356 0.72 F2 (0.38) MEN1KMT2AATMALDH1A1AKR1C3
SCHEMBL18648715 0.70 KMT2A (0.48) AKT1MEN1KMT2ALMNAMAPT
SCHEMBL14035028 0.67 SMN1; SMN2 (0.42) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
Propene SCHEMBL27837007 0.66 AKT1 (0.44) AKT1MEN1KMT2ALMNAMAPT
SCHEMBL14780997 0.66 AKT1 (0.50) AKT1MEN1KMT2ALMNAMAPT
SCHEMBL1073773 0.66 AKT1 (0.50) AKT1MEN1KMT2ALMNAMAPT
SCHEMBL1073772 0.66 AKT1 (0.50) AKT1MEN1KMT2ALMNAMAPT
SCHEMBL28443417 0.65 MEN1 (0.35) AKT1MEN1KMT2ALMNAMAPT

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-4389851-A1 ORGANIC COMPOUND, ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE HAVING THE COMPOUND LG Display Co., Ltd. (KR) 2024-06-26 EP disclosed