SCHEMBL31339832

SCHEMBL31339832

O=C(O)c1cc2ccc(I)cc2n(Cc2ccccn2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.47
▸ FEN1 P39748 1/20 0.47
▸ GABRA5 P31644 5/20 0.42
▸ GABRA1 P14867 4/20 0.42
▸ NOX4 Q9NPH5 4/20 0.41
▸ SLC22A12 Q96S37 1/20 0.41
▸ NTRK1 P04629 2/20 0.39
▸ CFTR P13569 1/20 0.39
▸ KDM4C Q9H3R0 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ ERCC5 P28715 1/20 0.38
▸ NTRK3 Q16288 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.37

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
SCHEMBL31339944 0.86 KDM4E (0.50) KDM4EFEN1GABRA5GABRA1SLC22A12
SCHEMBL31339757 0.86 ALDH1A1 (0.47) KDM4EFEN1GABRA5GABRA1NOX4
SCHEMBL31339906 0.86 KDM4E (0.47) KDM4EFEN1GABRA5GABRA1NOX4
SCHEMBL18359489 0.77 KDM4E (0.43) KDM4EFEN1GABRA5GABRA1
SCHEMBL20604983 0.70 CCR2 (0.65) FEN1NTRK1NTRK3
SCHEMBL30622493 0.70 CCR2 (0.65) FEN1NTRK1NTRK3
SCHEMBL14886593 0.70 NOTUM (0.65) KDM4ENOX4PTGDR2
SCHEMBL18359548 0.70 BRD4 (0.55) —
SCHEMBL30608054 0.70 KDM4E (0.47) KDM4EFEN1GABRA5GABRA1NOX4
SCHEMBL14556303 0.69 CCR2 (0.46) KDM4EFEN1NTRK1PTGDR2

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-4501912-A1 NOVEL HETEROCYCLIC COMPOUND Shouyao Holdings (Beijing) Co., Ltd. (CN) 2025-02-05 — — EP disclosed
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