SCHEMBL16954604

SCHEMBL16954604

[CH2]c1ccc(SC)c(C#N)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.39
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 4/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 4/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
AR P10275 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
RXFP1 Q9HBX9 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
PPARG P37231 1/20 0.31
NCOA2 Q15596 1/20 0.31
NCOA1 Q15788 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
CYP11B1 P15538 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
SCHEMBL7087447 0.78 KMT2A (0.45) KMT2AALDH1A1MEN1POLBKDM4E
SCHEMBL16954607 0.78 ALDH1A1 (0.40) KMT2AALDH1A1MEN1POLBKDM4E
SCHEMBL16961794 0.77 KMT2A (0.37) KMT2AALDH1A1MEN1POLBKDM4E
SCHEMBL16529745 0.76 AR (0.39) KMT2AALDH1A1MEN1POLBKDM4E
SCHEMBL2069897 0.76 KMT2A (0.39) KMT2AALDH1A1MEN1POLBKDM4E
SCHEMBL5637278 0.76 MAOB (0.42) KMT2AALDH1A1MEN1POLBKDM4E
SCHEMBL1017722 0.76 MEN1 (0.47) KMT2AALDH1A1MEN1POLBKDM4E
SCHEMBL18346209 0.76 KDM4E (0.59) KMT2AALDH1A1MEN1POLBKDM4E
SCHEMBL16961797 0.76 ALDH1A1 (0.36) KMT2AALDH1A1MEN1POLBKDM4E
SCHEMBL16950748 0.74 ALDH1A1 (0.36) KMT2AALDH1A1MEN1POLBKDM4E

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
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed