SCHEMBL249145

SCHEMBL249145

O=C(O)NCc1ccc(N2CCSC(=O)C2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
USP2 O75604 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 3/20 0.39
LMNA P02545 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 3/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL1852345 0.76 DDB1 (0.43) SMN1; SMN2USP2L3MBTL1GAANPSR1
SCHEMBL23013358 0.73 USP2 (0.68) SMN1; SMN2USP2L3MBTL1MAPTLMNA
SCHEMBL249130 0.73 TRPV1 (0.52) SMN1; SMN2GAAMAPTLMNACYP1A2
SCHEMBL19553919 0.70 HDAC6 (0.54) SMN1; SMN2L3MBTL1GAAMAPTLMNA
SCHEMBL11533429 0.70 CYP2C9 (0.65) SMN1; SMN2GAAMAPTLMNACYP1A2
SCHEMBL2755879 0.68 ERCC1 (0.58) SMN1; SMN2USP2L3MBTL1GAAMAPT
SCHEMBL4102507 0.67 KMT2A (0.66) L3MBTL1GAAMAPTMEN1ALDH1A1
SCHEMBL21815373 0.67 ALDH1A1 (0.53) USP2LMNATSHRALDH1A1KMT2A
SCHEMBL23830040 0.67 MAPT (0.64) SMN1; SMN2L3MBTL1GAAMAPTCYP1A2
SCHEMBL258716 0.67 CYP2C9 (0.62) SMN1; SMN2MAPTCYP1A2CYP2C19HPGD

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
EP-2401275-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 EP disclosed
WO-2010097410-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2010-09-02 WO disclosed