SCHEMBL8600128

SCHEMBL8600128

COc1ccc(-c2cc(C#N)nc(-c3cccc(-c4cccc(C#N)n4)n3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.51
MAPT P10636 5/20 0.48
GAA P10253 3/20 0.48
ALDH1A1 P00352 6/20 0.46
HPGD P15428 5/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
PTBP1 P26599 1/20 0.43
ABL1 P00519 1/20 0.43
ABCB1 P08183 1/20 0.43
BCR P11274 1/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL7847726 0.97 KDM4E (0.50) KDM4EMAPTGAAALDH1A1HPGD
SCHEMBL7770256 0.89 SQOR (0.49) KDM4EMAPTGAAALDH1A1LMNA
SCHEMBL2961972 0.84 KDM4E (0.58) KDM4EMAPTGAAALDH1A1HPGD
SCHEMBL2767895 0.83 CTSS (0.43) KDM4EMAPTALDH1A1LMNATSHR
SCHEMBL14007665 0.82 CTSS (0.51) KDM4EMAPTGAAHPGDLMNA
SCHEMBL12598663 0.80 CTSS (0.46) KDM4EMAPTALDH1A1LMNATSHR
SCHEMBL7850867 0.77 ABL1 (0.47) KDM4EMAPTALDH1A1HPGDMAPK1
SCHEMBL18462193 0.75 CTSS (0.57) KDM4EMAPTGAAALDH1A1HPGD
SCHEMBL1771966 0.74 CTSS (0.53) KDM4ELMNAMAPK1TDP1L3MBTL1
SCHEMBL8755201 0.74 MCL1 (0.44) MAPTALDH1A1LMNASMN1; SMN2KMT2A

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
US-5707603-A Pyridine complexing agents and targeting immunoreagents useful in therapeutic and diagnostic compositions NYCOMED IMAGING AS (NO) 1998-01-13 US disclosed