SCHEMBL28347572

SCHEMBL28347572

CCOC(=O)c1[nH]nc(C)c1CC(F)=CCNC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 1/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ MAPT P10636 3/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ IGF1R P08069 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ GFER P55789 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ ABCB1 P08183 1/20 0.32
▸ P2RX7 Q99572 1/20 0.31
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL21791600 1.00 PDE4D (0.35) PDE4DKDM4EMAPTNPSR1IGF1R
SCHEMBL20489256 0.88 KDM4E (0.35) KDM4ENPSR1LMNAGFERALDH1A1
SCHEMBL20489255 0.88 KDM4E (0.35) KDM4ENPSR1LMNAGFERALDH1A1
SCHEMBL21791604 0.72 P2RX7 (0.42) KDM4ENPSR1HSD17B10LMNAGFER
SCHEMBL18209663 0.72 PDE4D (0.45) PDE4DKDM4EMAPTNPSR1IGF1R
SCHEMBL2922516 0.68 MEN1 (0.39) MAPTALDH1A1TDP1HTTSMN1; SMN2
SCHEMBL13058172 0.68 MEN1 (0.39) MAPTALDH1A1TDP1HTTSMN1; SMN2
SCHEMBL2922518 0.68 MEN1 (0.39) MAPTALDH1A1TDP1HTTSMN1; SMN2
SCHEMBL27892352 0.67 TDP1 (0.39) TDP1
SCHEMBL2919446 0.67 TDP1 (0.45) TDP1HTT

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-110709385-A Haloallylamine pyrazole derivative inhibitors of lysyl oxidase and uses thereof 法玛西斯有限公司 2020-01-17 — — CN disclosed
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