SCHEMBL9817615

SCHEMBL9817615

CN(C=O)c1ccccc1C(=O)CS(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.40
▸ TSHR P16473 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ TP53 P04637 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MEN1 O00255 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ L3MBTL1 Q9Y468 4/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ HSD11B1 P28845 1/20 0.32
▸ USP2 O75604 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL9796524 0.81 KMT2A (0.40) KMT2ATSHRALDH1A1TP53GAA
SCHEMBL9722947 0.80 ACKR3 (0.34) KMT2AALDH1A1GAAKDM4E
SCHEMBL9796448 0.80 ALDH1A1 (0.42) KMT2ATSHRALDH1A1TP53GAA
SCHEMBL9817692 0.77 ALDH1A1 (0.40) KMT2ATSHRALDH1A1TP53GAA
SCHEMBL9796279 0.75 SMN1; SMN2 (0.47) KMT2ATSHRALDH1A1TP53GAA
SCHEMBL5524626 0.75 ALDH1A1 (0.48) TSHRALDH1A1TP53GAAMAPT
SCHEMBL9722950 0.75 ALDH1A1 (0.38) KMT2ATSHRALDH1A1TP53GAA
SCHEMBL10481582 0.74 FOLH1 (0.44) TSHRALDH1A1TP53GAAMAPT
SCHEMBL6371092 0.72 ALDH1A1 (0.49) KMT2ATSHRALDH1A1TP53GAA
SCHEMBL9796527 0.71 RAB9A (0.50) KMT2AALDH1A1GAAMAPTSMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0317149-B1 PROCESS FOR THE SYNTHESIS OF 3-THIO-4-QUINOLONE DERIVATIVES AND INTERMEDIATE COMPOUNDS FOR USE THEREIN, AND THEIR USE AS MEDICAMENTS The Boots Company PLC (GB) 1991-11-06 — — EP disclosed
EP-0343206-A1 PROCESS FOR THE SYNTHESIS OF 3-THIO-4-QUINOLONE DERIVATIVES AND INTERMEDIATE COMPOUNDS FOR USE THEREIN, AND THEIR USE AS MEDICAMENTS The Boots Company PLC (GB) 1989-11-29 — — EP disclosed
EP-0317149-A1 Process for the synthesis of 3-thio-4-quinolone derivatives and intermediate compounds for use therein, and their use as medicaments The Boots Company PLC (GB) 1989-05-24 — — EP disclosed
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