SCHEMBL31648288

SCHEMBL31648288

COc1ccccc1-c1cc2c(O)nc(Cl)nc2cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ S1PR1 P21453 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ELANE P08246 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ EIF4E P06730 1/20 0.39
▸ AMY1A P0DUB6 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL31648312 0.89 PIN1 (0.46) PIN1ALDH1A1TDP1S1PR1MEN1
SCHEMBL31648407 0.80 PIN1 (0.57) PIN1ALDH1A1TDP1S1PR1MEN1
SCHEMBL30636665 0.70 EGFR (0.57) ALDH1A1SMN1; SMN2
SCHEMBL2171367 0.70 EGFR (0.57) ALDH1A1SMN1; SMN2
SCHEMBL17670113 0.69 ALDH1A1 (0.54) ALDH1A1TDP1S1PR1L3MBTL1HPGD
SCHEMBL6425266 0.69 ALDH1A1 (0.72) ALDH1A1TDP1S1PR1MEN1KMT2A
SCHEMBL31647667 0.68 FGFR4 (0.41) PIN1ALDH1A1MEN1KMT2ALMNA
SCHEMBL22122225 0.67 ALDH1A1 (0.54) ALDH1A1TDP1S1PR1EIF4EL3MBTL1
SCHEMBL4405138 0.66 EIF4E (0.48) ALDH1A1TDP1S1PR1MEN1KMT2A
SCHEMBL11154554 0.66 KMT2A (0.63) ALDH1A1MEN1KMT2AELANERXFP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025133660-A1 NOVEL COMPOUNDS FOR HOST DIRECTED ANTIVIRAL STRATEGY SORBONNE UNIVERSITE (FR) 2025-06-26 — — WO disclosed
WO-2025132449-A1 NOVEL COMPOUNDS FOR HOST DIRECTED ANTIVIRAL STRATEGY SORBONNE UNIVERSITE (FR) 2025-06-26 — — WO disclosed
Send feedback