SCHEMBL31722740

SCHEMBL31722740

O=[N+]([O-])c1ccccc1-c1cccc2c1c1cccc3c4cc(-c5ccccc5)ccc4n2c31

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ USP1 O94782 1/20 0.36
▸ WDR48 Q8TAF3 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ MAPT P10636 4/20 0.34
▸ LMNA P02545 3/20 0.34
▸ EIF4E P06730 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ADAMTS4 O75173 1/20 0.34
▸ CFTR P13569 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ HSD17B1 P14061 1/20 0.34

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
SCHEMBL31722551 0.87 TDP1 (0.42) ALDH1A1TDP1MEN1KMT2ANPC1
SCHEMBL25459781 0.86 TSPO (0.40) ALDH1A1TDP1MEN1KMT2ANPC1
SCHEMBL24161835 0.85 ALDH1A1 (0.46) ALDH1A1TDP1MEN1KMT2ANPC1
SCHEMBL23814033 0.82 TSPO (0.38) ALDH1A1TDP1MEN1KMT2APOLB
SCHEMBL25459783 0.82 TSPO (0.38) ALDH1A1TDP1MEN1KMT2APOLB
SCHEMBL25459782 0.82 TSPO (0.39) ALDH1A1TDP1MEN1KMT2ANPC1
SCHEMBL25459788 0.82 TSPO (0.39) ALDH1A1TDP1MEN1KMT2ANPC1
SCHEMBL23823558 0.81 TSPO (0.38) ALDH1A1TDP1MEN1KMT2ANPC1
SCHEMBL25459767 0.81 TSPO (0.38) ALDH1A1TDP1MEN1KMT2ANPC1
SCHEMBL25459744 0.80 TSPO (0.36) ALDH1A1TDP1MEN1KMT2ANPC1

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
WO-2025228800-A1 MATERIALS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2025-11-06 — — WO disclosed
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