SCHEMBL31259845

SCHEMBL31259845

O=C(O)[C@H](Cc1cccs1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.43
▸ GAA P10253 4/20 0.43
▸ ATM Q13315 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ POLB P06746 3/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TDP1 Q9NUW8 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
SCHEMBL31259885 0.83 ALDH1A1 (0.49) TNFALDH1A1GAACYP2C19KMT2A
SCHEMBL8883742 0.81 ALDH1A1 (0.64) ALDH1A1GAACYP2C19MEN1KMT2A
SCHEMBL8883750 0.81 ALDH1A1 (0.64) ALDH1A1GAACYP2C19MEN1KMT2A
SCHEMBL6260167 0.81 TNF (0.53) TNFALDH1A1GAAATMMEN1
SCHEMBL31259790 0.79 TNF (0.51) TNFALDH1A1GAAATMMEN1
SCHEMBL2167750 0.79 ALDH1A1 (0.64) TNFALDH1A1GAAATMMEN1
SCHEMBL15930057 0.79 ALDH1A1 (0.64) TNFALDH1A1GAAATMMEN1
SCHEMBL6255431 0.79 TNF (0.53) TNFALDH1A1GAAATMMEN1
SCHEMBL31259808 0.78 TNF (0.50) TNFALDH1A1GAAATMMEN1
SCHEMBL7436698 0.77 L3MBTL1 (0.57) TNFALDH1A1GAAATMMEN1

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
EP-4739668-A1 1,3-ISOINDOLINEDIONE DERIVATIVES AND HETEROAROMATIC ANALOGUES FOR STIMULATING ENDOTHELIAL CELL-PERICYTE INTERACTION Academisch Ziekenhuis Leiden (h.o.d.n. LUMC) (NL) 2026-05-13 — — EP disclosed
WO-2025014359-A1 1,3-ISOINDOLINEDIONE DERIVATIVES AND HETEROAROMATIC ANALOGUES FOR STIMULATING ENDOTHELIAL CELL-PERICYTE INTERACTION ACADEMISCH ZIEKENHUIS LEIDEN (h.o.d.n. LUMC) (NL) 2025-01-16 — — WO disclosed
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