SCHEMBL24201458

SCHEMBL24201458

O=CN1CC2=CCCC=C2/C=C\c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
SCN4A P35499 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
P2RX4 Q99571 4/20 0.32
P2RX1 P51575 2/20 0.32
P2RX3 P56373 2/20 0.32

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
SCHEMBL21769357 0.77 HTR1A (0.33) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL19733503 0.74 HSD17B3 (0.39) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL18995818 0.70 TSHR (0.37) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL26811011 0.70 P2RX4 (0.39) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL24201420 0.69 P2RX4 (0.40) P2RX4P2RX1P2RX3
SCHEMBL3453648 0.67 LMNA (0.36) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL22879494 0.64 KMT2A (0.37) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL8911614 0.64 LMNA (0.47) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL27447588 0.63 SMN1; SMN2 (0.37) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL27885678 0.62 PTAFR (0.36) LMNATSHR

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-3940000-A1 CARRAGEENAN DERIVATIVE, PROBE FOR LABELLING MACROPHAGES, AND METHOD FOR PREPARING SAME Korea University Research and Business Foundation (KR) 2022-01-19 EP disclosed