SCHEMBL16168405

SCHEMBL16168405

C#C[C@H](N)COc1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.49
▸ MAOB P27338 2/20 0.48
▸ AOC3 Q16853 1/20 0.48
▸ LMNA P02545 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MRGPRX4 Q96LA9 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ HTR2B P41595 1/20 0.43

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
SCHEMBL12190635 0.84 L3MBTL1 (0.48) KDM4EMAOBAOC3LMNAPKM
SCHEMBL3148903 0.84 KDM4E (0.48) KDM4EMAOBAOC3LMNAPKM
SCHEMBL817454 0.84 KDM4E (0.48) KDM4EMAOBAOC3LMNAPKM
SCHEMBL817449 0.84 KDM4E (0.48) KDM4EMAOBAOC3LMNAPKM
SCHEMBL9988187 0.81 HTR2A (0.57) KDM4EMAOBAOC3LMNAPKM
SCHEMBL28303221 0.79 L3MBTL1 (0.51) KDM4EMAOBAOC3LMNAPKM
Hydrochloric Acid SCHEMBL7109951 0.78 L3MBTL1 (0.51) KDM4EMAOBAOC3LMNAPKM
SCHEMBL4990397 0.78 SCN4A (0.63) KDM4EMAOBAOC3L3MBTL1
SCHEMBL14241267 0.78 L3MBTL1 (0.50) KDM4EMAOBAOC3LMNAPKM
SCHEMBL10578799 0.78 L3MBTL1 (0.50) KDM4EMAOBAOC3LMNAPKM

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
EP-2274266-B1 PROCESS FOR THE PREPARATION OF PROSTAGLANDIN ANALOGUES AND INTERMEDIATES THEREOF SCINOPHARM TAIWAN LTD (TW) 2014-10-15 — — EP disclosed
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