SCHEMBL18704089

SCHEMBL18704089

NC(CO)=NOC(=O)CCc1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 7/20 0.60
▸ HTT P42858 2/20 0.60
▸ POLB P06746 1/20 0.50
▸ TDP1 Q9NUW8 7/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MAPT P10636 3/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HTR3E A5X5Y0 1/20 0.42
▸ HTR3B O95264 1/20 0.42
▸ HTR3A P46098 1/20 0.42
▸ HTR3D Q70Z44 1/20 0.42
▸ HTR3C Q8WXA8 1/20 0.42

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
SCHEMBL18704088 1.00 L3MBTL1 (0.60) L3MBTL1HTTPOLBTDP1ALDH1A1
SCHEMBL23094258 0.83 L3MBTL1 (0.70) L3MBTL1HTTPOLBTDP1ALDH1A1
SCHEMBL10617882 0.78 L3MBTL1 (0.55) L3MBTL1HTTPOLBTDP1MEN1
SCHEMBL1990535 0.73 CYP2C9 (0.57) L3MBTL1HTTALDH1A1MEN1KMT2A
SCHEMBL28858383 0.72 FFAR1 (0.47) L3MBTL1HTTTDP1MEN1KMT2A
SCHEMBL8695372 0.72 PLAAT3 (0.53) L3MBTL1HTTMEN1KMT2AHTR3E
SCHEMBL30495916 0.72 TDP1 (0.50) L3MBTL1HTTPOLBTDP1ALDH1A1
SCHEMBL5348317 0.72 L3MBTL1 (0.49) L3MBTL1HTTPOLBMEN1KMT2A
SCHEMBL197699 0.72 CYP11B1 (0.58) L3MBTL1HTTPOLBALDH1A1MEN1
SCHEMBL4671096 0.70 KMT2A (0.55) L3MBTL1HTTTDP1ALDH1A1MEN1

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-2017060488-A1 NEW TRPA1 ANTAGONISTS ALMIRALL, S.A. (ES) 2017-04-13 — — WO disclosed
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