SCHEMBL31401161

SCHEMBL31401161

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc(C(=O)O)cc1S(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.40
▸ CDC25B P30305 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ NSD2 O96028 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HCAR3 P49019 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CA12 O43570 2/20 0.34
▸ CA1 P00915 2/20 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
SCHEMBL31401033 0.83 ALDH1A1 (0.43) SMN1; SMN2KMT2APOLBESR1RECQL
SCHEMBL16398545 0.80 HCAR3 (0.36) PKMTDP1HCAR3MAPTALDH1A1
SCHEMBL19859253 0.77 ELANE (0.43) PKMNPSR1TDP1HCAR3MAPT
SCHEMBL19003378 0.74 HCAR3 (0.41) PKMPOLBTDP1L3MBTL1HCAR3
SCHEMBL3256088 0.72 MAPT (0.44) SMN1; SMN2KMT2APOLBTDP1L3MBTL1
SCHEMBL14799008 0.72 PKM (0.50) PKMKMT2ANPSR1POLBMAPT
SCHEMBL9436774 0.71 HCAR3 (0.57) PKMCDC25BSMN1; SMN2KMT2APOLB
SCHEMBL5405584 0.71 CDC25B (0.53) PKMCDC25BSMN1; SMN2KMT2ANPSR1
SCHEMBL6232759 0.71 RXRA (0.42) KMT2APOLBTDP1ALDH1A1CA12
SCHEMBL19985139 0.70 HCAR3 (0.38) PKMTDP1HCAR3MAPTALDH1A1

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-4739682-A1 1,6-NAPHTHRIDINE COMPOUNDS AS SMARCA2 INHIBITORS USEFUL FOR THE TREATMENT OF SMARCA4 DEFICIENT CANCERS Janssen Pharmaceutica NV (BE) 2026-05-13 — — EP disclosed
WO-2025008058-A1 1,6-NAPHTHRIDINE COMPOUNDS AS SMARCA2 INHIBITORS USEFUL FOR THE TREATMENT OF SMARCA4 DEFICIENT CANCERS JANSSEN PHARMACEUTICA NV (BE) 2025-01-09 — — WO disclosed
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