SCHEMBL15525622

SCHEMBL15525622

O=CC1(C=O)C=CC(c2cccs2)S1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 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
SCHEMBL8411178 0.81 MEN1 (0.32) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL7062683 0.81 LMNA (0.32) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL2788715 0.74 MEN1 (0.33) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL668173 0.71 MEN1 (0.34) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL15568368 0.70 MEN1 (0.33) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL3373110 0.70 MEN1 (0.33) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL19436423 0.70 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL7062104 0.70 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL2790000 0.68 SPHK2 (0.34) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL7062638 0.67 BRD4 (0.37) ALDH1A1MEN1KMT2AMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105377862-A Metal-based complexes as photodynamic compounds and use thereof MCFARLAND SHERRI ANN 2016-03-02 CN disclosed
CN-105120957-A Metal-based thiophene photodynamic compounds and uses thereof MCFARLAND SHERRI 2015-12-02 CN disclosed
EP-2854948-A1 METAL-BASED THIOPHENE PHOTODYNAMIC COMPOUNDS AND THEIR USE Theralase, Inc. (CA) 2015-04-08 EP disclosed
WO-2013158550-A1 METAL-BASED THIOPHENE PHOTODYNAMIC COMPOUNDS AND THEIR USE THERALASE, INC. (CA) 2013-10-24 WO disclosed