SCHEMBL31401033

SCHEMBL31401033

CCOC(=O)c1ccc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(S(C)(=O)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ CA1 P00915 3/20 0.43
▸ CA2 P00918 3/20 0.43
▸ CA12 O43570 2/20 0.43
▸ CA7 P43166 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ CA14 Q9ULX7 2/20 0.43
▸ HPGD P15428 3/20 0.42
▸ RECQL P46063 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ HCRTR1 O43613 1/20 0.40
▸ HSD17B2 P37059 1/20 0.39
▸ STS P08842 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 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
SCHEMBL31401161 0.83 PKM (0.40) ALDH1A1CA1CA2CA12CA7
SCHEMBL14593012 0.73 ALDH1A1 (0.67) ALDH1A1CA1CA2CA12CA7
SCHEMBL2904900 0.73 LMNA (0.54) ALDH1A1CA1CA2CA12CA7
SCHEMBL9319723 0.73 CA1 (0.47) ALDH1A1CA1CA2CA12CA7
SCHEMBL3490595 0.72 SYK (0.52) CA1CA2CA12CA7CA9
SCHEMBL465766 0.72 SYK (0.47) ALDH1A1CA1CA2CA12CA7
SCHEMBL14805454 0.71 JMJD6 (0.43) ALDH1A1CA1CA2CA12CA7
SCHEMBL18608207 0.70 CA1 (0.63) ALDH1A1CA1CA2CA12CA7
SCHEMBL28320607 0.70 GABRA1 (0.33) ALDH1A1CA1CA2CA12CA9
SCHEMBL7335437 0.70 LMNA (0.43) ALDH1A1CA1CA2CA12CA7

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
Send feedback