SCHEMBL20642137

SCHEMBL20642137

CCCN(c1ccccc1)N1C(=O)CC(C)=C(C#N)C1=O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 5/20 0.34
▸ DRD3 P35462 2/20 0.34
▸ KCNN4 O15554 1/20 0.34
▸ KCNA5 P22460 1/20 0.34
▸ APP P05067 1/20 0.32
▸ TP53 P04637 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL20642134 0.82 ALDH1A1 (0.40) APPTP53ALDH1A1GAATSHR
SCHEMBL20642132 0.78 ALDH1A1 (0.38) TP53ALDH1A1TSHRHSD17B10
SCHEMBL20642149 0.77 ALDH1A1 (0.36) APPTP53ALDH1A1GAA
SCHEMBL20642151 0.75 ALDH1A1 (0.35) ALDH1A1
SCHEMBL20642136 0.74 MAPT (0.34) —
SCHEMBL20642152 0.74 MEN1 (0.36) —
SCHEMBL20642138 0.72 NPC1 (0.30) TP53ALDH1A1
SCHEMBL20642135 0.71 ALDH1A1 (0.33) ALDH1A1GAATSHRHSD17B10
SCHEMBL20642139 0.70 PKM (0.37) ALDH1A1GAAHSD17B10
SCHEMBL14937879 0.69 KMT2A (0.51) ALDH1A1GAAHSD17B10

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-10179858-B2 Compound, ink, resist composition for color filter, thermal transfer recording sheet, and toner CANON KABUSHIKI KAISHA (JP) 2019-01-15 — — US disclosed
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