SCHEMBL20869233

SCHEMBL20869233

BCC(=O)c1cc(C)ncn1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MMP13 P45452 3/20 0.33
▸ HTT P42858 1/20 0.32
▸ KMO O15229 4/20 0.32
▸ SORT1 Q99523 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ P2RX7 Q99572 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
SCHEMBL30307658 0.82 MEN1 (0.35) ALDH1A1ALOX15MAPK1HSD17B10TDP1
SCHEMBL28955966 0.82 MEN1 (0.35) ALDH1A1ALOX15MAPK1HSD17B10TDP1
SCHEMBL882667 0.75 ALDH1A1 (0.39) ALDH1A1ALOX15MAPK1HSD17B10TDP1
SCHEMBL1671322 0.75 KMO (0.50) ALDH1A1KMO
SCHEMBL24713180 0.74 KMO (0.36) ALDH1A1ALOX15MAPK1HSD17B10TDP1
SCHEMBL8148229 0.74 SIRT6 (0.41) HTTKMOL3MBTL1
SCHEMBL23881497 0.73 P2RX7 (0.50) ALDH1A1ALOX15MAPK1HSD17B10TDP1
Potassium Ion SCHEMBL4365217 0.72 KMO (0.33) ALDH1A1ALOX15MAPK1HSD17B10TDP1
SCHEMBL10228362 0.72 CYP1A2 (0.50) ALDH1A1
SCHEMBL14872318 0.71 CLK4 (0.35) ALDH1A1ALOX15MAPK1HSD17B10TDP1

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
WO-2019065570-A1 HETEROCYCLIC COMPOUND AND HARMFUL ARTHROPOD CONTROLLING AGENT CONTAINING SAME 住友化学株式会社 2019-04-04 — — WO disclosed
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