SCHEMBL31648312

SCHEMBL31648312

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 4/20 0.46
▸ ALDH1A1 P00352 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ S1PR1 P21453 1/20 0.42
▸ ELANE P08246 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ AMY1A P0DUB6 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ EIF4E P06730 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL31648288 0.89 PIN1 (0.44) PIN1ALDH1A1TDP1S1PR1ELANE
SCHEMBL31648407 0.81 PIN1 (0.57) PIN1ALDH1A1TDP1S1PR1L3MBTL1
SCHEMBL31647667 0.79 FGFR4 (0.41) PIN1ALDH1A1MEN1KMT2ARXFP1
SCHEMBL8143329 0.76 POLB (0.44) ALDH1A1TDP1MEN1KMT2ALMNA
SCHEMBL8135844 0.72 PGK1 (0.47) ALDH1A1KMT2ALMNAMAPT
SCHEMBL8144138 0.71 PGK1 (0.48) ALDH1A1KMT2ALMNANPC1RAB9A
SCHEMBL17670113 0.71 ALDH1A1 (0.54) ALDH1A1TDP1S1PR1L3MBTL1HPGD
SCHEMBL6425266 0.70 ALDH1A1 (0.72) ALDH1A1TDP1S1PR1L3MBTL1MEN1
SCHEMBL8136031 0.70 TYMS (0.40) ALDH1A1MEN1KMT2ALMNARAB9A
SCHEMBL8137540 0.70 VCAM1 (0.39) PIN1ALDH1A1TDP1L3MBTL1ABCG2

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