SCHEMBL31259885

SCHEMBL31259885

Nc1cccc2c1C(=O)N([C@@H](Cc1cccs1)C(=O)O)C2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ GAA P10253 3/20 0.48
▸ CYP2C19 P33261 2/20 0.47
▸ POLB P06746 4/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ AADAT Q8N5Z0 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ APEX1 P27695 1/20 0.41

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
SCHEMBL8883750 0.86 ALDH1A1 (0.64) ALDH1A1KDM4EGAACYP2C19POLB
SCHEMBL8883742 0.86 ALDH1A1 (0.64) ALDH1A1KDM4EGAACYP2C19POLB
SCHEMBL31259845 0.83 TNF (0.45) ALDH1A1MAPTSMN1; SMN2GAACYP2C19
SCHEMBL6257316 0.78 KDM4E (0.51) ALDH1A1KDM4EMAPTGAAPOLB
SCHEMBL10693046 0.78 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTGAACYP2C19
SCHEMBL2169473 0.77 TNF (0.50) ALDH1A1KDM4EGAAPOLBKMT2A
SCHEMBL6261277 0.76 ALDH1A1 (0.72) ALDH1A1KDM4EMAPTGAACYP2C19
SCHEMBL31259788 0.76 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTGAAPOLB
SCHEMBL2168383 0.75 KMT2A (0.61) ALDH1A1KDM4EGAAPOLBKMT2A
SCHEMBL672662 0.75 KMT2A (0.61) ALDH1A1KDM4EGAAPOLBKMT2A

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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