SCHEMBL8333058

SCHEMBL8333058

CNC(=S)N(C(=O)Cc1ccc(OC)cc1)C1C2CC3CC(C2)CC1(N=S(=O)=O)C3

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.39
▸ P2RX2 Q9UBL9 1/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ LMNA P02545 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ P2RX7 Q99572 1/20 0.36
▸ CNR2 P34972 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ EPHX2 P34913 1/20 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
SCHEMBL8393917 0.92 ALDH1A1 (0.40) ALDH1A1P2RX2MEN1KMT2ALMNA
SCHEMBL8339579 0.90 LMNA (0.36) ALDH1A1P2RX2MEN1KMT2ALMNA
SCHEMBL8341309 0.76 ALDH1A1 (0.38) ALDH1A1P2RX2MEN1KMT2ALMNA
SCHEMBL8336897 0.75 TDP1 (0.39) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL8392591 0.70 ALDH1A1 (0.39) ALDH1A1P2RX2MEN1KMT2ALMNA
SCHEMBL8333062 0.69 GAA (0.36) ALDH1A1P2RX2MEN1KMT2AP2RX7
SCHEMBL8334261 0.68 CNR2 (0.39) MEN1KMT2ALMNACNR2MAPT
SCHEMBL8341312 0.66 POLB (0.38) ALDH1A1P2RX2MEN1KMT2ALMNA
SCHEMBL8339583 0.65 — —
SCHEMBL8341128 0.65 CNR2 (0.36) ALDH1A1P2RX2MEN1KMT2ALMNA

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
US-5977177-A Substituted benzenesulfonylureas and-thioureas, processes for their preparation and use of pharmaceutical preparations based on these compounds, and medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1999-11-02 — — US disclosed
US-5880155-A TREATMENT OF CARDIOVASCULAR DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1999-03-09 — — US disclosed
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