SCHEMBL9058416

SCHEMBL9058416

COCCN(CCOC)CC1=Cc2ccsc2SN1Cc1ccc(OC)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
ALOX15 P16050 1/20 0.32
CMA1 P23946 1/20 0.32
PDE1B Q01064 2/20 0.31
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
ERCC5 P28715 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL9057290 0.83 NPC1 (0.32)
SCHEMBL9058327 0.79 CA2 (0.44)
SCHEMBL8950119 0.76 CMA1 (0.32) POLBMEN1KMT2ASCN1ASCN2A
SCHEMBL8950208 0.69 CA2 (0.33)
SCHEMBL9117670 0.65
SCHEMBL17230510 0.62 TSHR (0.49)
SCHEMBL17230507 0.61 AOC3 (0.49)
SCHEMBL28987474 0.59 USP2 (0.53) POLBMEN1KMT2AALDH1A1KDM4E
SCHEMBL6214827 0.58 ALDH1A1 (0.56) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL5477997 0.57 ALDH1A1 (0.51) MEN1KMT2AALDH1A1NPSR1GAA

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
WO-1996022099-A1 OPHTHALMIC COMPOSITIONS FOR TREATING GLAUCOMA ALCON LABORATORIES, INC. (US) 1996-07-25 WO disclosed
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