SCHEMBL6802135

SCHEMBL6802135

CSc1sc(C(=O)c2ccc(Cl)cc2)c(N)c1C#N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
KDM4E B2RXH2 4/20 0.64
HPGD P15428 3/20 0.64
GAA P10253 2/20 0.64
LMNA P02545 3/20 0.54
NPSR1 Q6W5P4 1/20 0.54
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
MAPT P10636 7/20 0.52
GABRA1 P14867 1/20 0.47
GABRA5 P31644 1/20 0.47
USP2 O75604 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MELK Q14680 1/20 0.46
POLB P06746 1/20 0.46
ALOX12 P18054 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL6800185 0.87 KMT2A (0.54) ALDH1A1KDM4EHPGDGAALMNA
SCHEMBL9865632 0.87 MEN1 (0.70) ALDH1A1KDM4EHPGDGAALMNA
SCHEMBL9864961 0.86 ALDH1A1 (0.69) ALDH1A1KDM4EHPGDGAALMNA
SCHEMBL9864830 0.85 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDGAALMNA
SCHEMBL3818516 0.76 GRIA4 (0.57) ALDH1A1KDM4EHPGDGAALMNA
SCHEMBL6644214 0.76 GRIA4 (0.47) ALDH1A1KDM4EHPGDGAALMNA
SCHEMBL9864594 0.76 GRIA4 (0.47) ALDH1A1KDM4EHPGDGAALMNA
SCHEMBL13633822 0.76 ALDH1A1 (0.78) ALDH1A1KDM4EHPGDGAALMNA
SCHEMBL9865195 0.75 LMNA (0.52) ALDH1A1KDM4EHPGDGAALMNA
SCHEMBL9865755 0.74 MEN1 (0.73) ALDH1A1KDM4EHPGDGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004067527-A1 THIOPHENE DERIVATIVES AS MICROBICIDES AND HERBICIDES BAYER CROPSCIENCE AG (DE) 2004-08-12 WO claimed
WO-2004067527-A1 THIOPHENE DERIVATIVES AS MICROBICIDES AND HERBICIDES BAYER CROPSCIENCE AG (DE) 2004-08-12 WO disclosed
US-4994485-A Seed and soil fungi, bacteria DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1991-02-19 US disclosed
EP-0234622-B1 NEW THIO COMPOUNDS HAVING FUNGICIDAL ACTIVITY DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1990-06-27 EP disclosed
EP-0234622-A1 New thio compounds having fungicidal activity DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1987-09-02 EP disclosed