SCHEMBL26601434

SCHEMBL26601434

C=CCCOc1cnccc1CN

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 13/20 0.43
AOC1 P19801 11/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
KDM4E B2RXH2 1/20 0.40
LOX P28300 2/20 0.34
ALDH1A1 P00352 1/20 0.32
MELK Q14680 1/20 0.32
IMPDH2 P12268 1/20 0.31

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
SCHEMBL31397851 1.00 AOC3 (0.43) AOC3AOC1LOXL2KDM4ELOX
SCHEMBL23902752 0.84 AOC3 (0.40) AOC3AOC1LOXL2LOXALDH1A1
SCHEMBL31397840 0.79 CHRNB2 (0.38) AOC3AOC1LOXL2
SCHEMBL17372528 0.79 AOC3 (0.56) AOC3AOC1LOXL2LOX
SCHEMBL17372104 0.79 AOC3 (0.47) AOC3AOC1LOXL2KDM4EALDH1A1
SCHEMBL28972711 0.78 AOC3 (0.50) AOC3AOC1LOXL2MELK
SCHEMBL20189707 0.78 KDM4E (0.42) AOC3AOC1KDM4EALDH1A1IMPDH2
SCHEMBL29784977 0.78 AOC3 (0.46) AOC3AOC1LOXL2LOXMELK
SCHEMBL17372175 0.78 AOC3 (0.46) AOC3AOC1LOXL2LOXMELK
SCHEMBL26781479 0.78 AOC3 (0.46) AOC3AOC1LOXL2LOXMELK

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
EP-4511376-A2 EGFR INHIBITORS IN CANCER TREATMENT Celyn Therapeutics, Inc. (US) 2025-02-26 EP disclosed
WO-2023205595-A2 EGFR INHIBITORS IN CANCER TREATMENT CELYN THERAPEUTICS, INC (US) 2023-10-26 WO disclosed
WO-2023205595-A2 EGFR INHIBITORS IN CANCER TREATMENT CELYN THERAPEUTICS, INC (US) 2023-10-26 WO disclosed