SCHEMBL16602047

SCHEMBL16602047

N#CC(C#N)=c1c(=O)c2ccc(C(=O)O)c3c(C(=O)O)ccc1c32

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 5/20 0.55
▸ CYP1A2 P05177 3/20 0.45
▸ CSNK2A2 P19784 1/20 0.32
▸ CSNK2B P67870 1/20 0.32
▸ CSNK2A1 P68400 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TYMS P04818 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ ALOX12 P18054 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL15765900 0.77 MCL1 (0.58) MCL1
SCHEMBL12114036 0.77 MCL1 (0.58) MCL1MEN1ALDH1A1KMT2A
Water SCHEMBL10822718 0.74 CYP1A2 (0.74) CYP1A2HSD17B10TYMSMEN1ALDH1A1
SCHEMBL30141 0.72 CYP1A2 (0.78) CYP1A2HSD17B10TYMSMEN1ALDH1A1
SCHEMBL30117300 0.72 CYP1A2 (0.78) CYP1A2HSD17B10TYMSMEN1ALDH1A1
SCHEMBL16602048 0.72 MCL1 (0.53) MCL1
SCHEMBL2367407 0.71 MCL1 (1.00) MCL1CYP1A2HSD17B10TYMSALDH1A1
Potassium SCHEMBL11899737 0.70 CYP1A2 (0.74) CYP1A2HSD17B10TYMSMEN1ALDH1A1
SCHEMBL15992060 0.70 CYP1A2 (0.74) CYP1A2HSD17B10TYMSMEN1ALDH1A1
SCHEMBL2249624 0.70 CYP1A2 (0.74) CYP1A2HSD17B10TYMSMEN1ALDH1A1

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-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 — — US disclosed
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