SCHEMBL2819006

SCHEMBL2819006

COc1ccc(Nc2cncc(-c3cccc(C(=O)c4cccs4)c3N)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.48
SLC22A12 Q96S37 1/20 0.48
RAB9A P51151 6/20 0.44
NPC1 O15118 3/20 0.44
TP53 P04637 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 7/20 0.41
MEN1 O00255 5/20 0.41
MAPT P10636 5/20 0.41
ALDH1A1 P00352 4/20 0.41
F2 P00734 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 3/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
POLB P06746 1/20 0.40
PPARG P37231 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL2822421 0.85 XDH (0.50) XDHSLC22A12RAB9ANPC1SMN1; SMN2
SCHEMBL2824998 0.83 XDH (0.48) XDHSLC22A12RAB9ANPC1TP53
SCHEMBL2819012 0.83 MAPK13 (0.51) XDHSLC22A12RAB9ANPC1TP53
SCHEMBL2818647 0.82 XDH (0.48) XDHSLC22A12RAB9ASMN1; SMN2KMT2A
SCHEMBL2822721 0.81 XDH (0.52) XDHSLC22A12RAB9ANPC1ALDH1A1
SCHEMBL2824946 0.81 XDH (0.48) XDHSLC22A12RAB9ANPC1SMN1; SMN2
SCHEMBL2820201 0.80 XDH (0.47) XDHSLC22A12RAB9ANPC1KMT2A
SCHEMBL2819002 0.78 KMT2A (0.62) XDHSLC22A12RAB9ANPC1TP53
SCHEMBL4147232 0.69 XDH (0.59) XDHSLC22A12KMT2AMEN1MAPT
SCHEMBL2821275 0.69 XDH (0.56) XDHSLC22A12RAB9ANPC1KMT2A

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-1789044-B1 PHENYLAMINOPYRIDINES AND PHENYLAMINOPYRAZINES BASILEA PHARMACEUTICA AG (CH) 2010-10-27 EP claimed