SCHEMBL28833660

SCHEMBL28833660

NC(=O)c1ccc(-c2nc3cccc(N)c3[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 17/20 0.51
▸ PKN1 Q16512 1/20 0.46
▸ PKN2 Q16513 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL6439292 0.82 ALDH1A1 (0.60) KDM4EALDH1A1HPGDKMT2A
SCHEMBL1895948 0.80 NPC1 (0.55) KDM4EALDH1A1HPGDKMT2A
SCHEMBL3663760 0.78 KDM4E (0.73) CHEK2KDM4EALDH1A1HPGDKMT2A
SCHEMBL3726215 0.75 IKBKB (0.37) KDM4EALDH1A1HPGD
SCHEMBL6245182 0.74 RIPK1 (0.59) CHEK2PKN1PKN2
SCHEMBL2149454 0.74 PARP1 (0.63) CHEK2PKN1PKN2
Terephthalamide SCHEMBL2641517 0.74 CHEK2 (0.76) CHEK2PKN1PKN2KDM4EALDH1A1
SCHEMBL3579908 0.74 PARP1 (0.61) CHEK2PKN1PKN2KDM4EALDH1A1
SCHEMBL28671805 0.73 NPC1 (0.65) KDM4EALDH1A1HPGDKMT2A
SCHEMBL7943519 0.72 KDM4E (0.61) CHEK2KDM4EALDH1A1HPGDKMT2A

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
CN-104911896-B A kind of aramid III fiber of resistance to ultraviolet and preparation method thereof 四川大学 2016-09-28 — — CN disclosed
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