SCHEMBL28110422

SCHEMBL28110422

CCCCCNc1cc(C)ccc1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 10/20 0.67
▸ PLK3 Q9H4B4 1/20 0.56
▸ KDM6B O15054 1/20 0.54
▸ KDM4C Q9H3R0 1/20 0.54
▸ CISD1 Q9NZ45 6/20 0.52
▸ TRPM2 O94759 1/20 0.52
▸ HCAR3 P49019 1/20 0.48
▸ GUCY1A1 Q02108 1/20 0.48
▸ GUCY1B1 Q02153 1/20 0.48

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
SCHEMBL9824061 0.95 PLK1 (0.64) PLK1PLK3KDM6BKDM4CCISD1
SCHEMBL28109945 0.88 PLK1 (0.67) PLK1PLK3CISD1TRPM2HCAR3
SCHEMBL28293669 0.86 PLK1 (0.54) PLK1PLK3KDM6BKDM4CCISD1
SCHEMBL1884483 0.84 CISD1 (0.63) PLK1KDM6BKDM4CCISD1HCAR3
SCHEMBL28293667 0.84 PLK1 (0.52) PLK1PLK3KDM6BKDM4CCISD1
SCHEMBL22097725 0.84 HCAR3 (0.60) PLK1PLK3KDM6BKDM4CCISD1
SCHEMBL3781973 0.84 PLK1 (0.62) PLK1KDM6BKDM4CCISD1HCAR3
SCHEMBL5386530 0.82 PLK1 (0.58) PLK1PLK3KDM4CTRPM2
SCHEMBL29223566 0.81 ALDH1A1 (0.61) PLK1PLK3GUCY1A1GUCY1B1
SCHEMBL27736211 0.81 KDM6B (0.52) PLK1KDM6BKDM4CCISD1HCAR3

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-106146414-A Quinazoline diones analog derivative and its production and use 浙江大学 2016-11-23 — — CN disclosed
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