SCHEMBL9115098

SCHEMBL9115098

COC(=O)C1=Cc2ccsc2SN1c1ccc(OC)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 2/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPK10 P53779 2/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTT P42858 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 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
SCHEMBL8950361 0.73 LMNA (0.38) LMNAHPGDTSHRKMT2AMAPT
SCHEMBL9057290 0.68 NPC1 (0.32) NPC1RAB9A
SCHEMBL15004854 0.59 MAPK1 (0.58) LMNAHPGDTSHRKMT2AMAPT
SCHEMBL10516113 0.59 NPC1 (0.73) LMNAHPGDTSHRKMT2AMAPT
Methyl 4-Methoxybenzoate SCHEMBL231243 0.59 CA1 (1.00) LMNATSHRKMT2AMAPTKDM4E
SCHEMBL2273711 0.58 CA1 (0.88) LMNAHPGDKMT2AMAPTALDH1A1
SCHEMBL6132300 0.58 CA1 (0.64) LMNATSHRKMT2AMAPTALDH1A1
SCHEMBL6727704 0.57 MEN1 (0.47) HPGDKMT2AMAPTALDH1A1KDM4E
SCHEMBL922692 0.57 KMT2A (0.69) LMNAHPGDKMT2AMAPTALDH1A1
SCHEMBL25308227 0.57 TUBB4A (0.60) KMT2AMAPTALDH1A1KDM4ECA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995019981-A1 THIENOTHIAZINE SULFONAMIDE DERIVATIVES PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS CARBONIC ANHYDRASE INHIBITORS ALCON LABORATORIES, INC. (US) 1995-07-27 WO disclosed