SCHEMBL18664167

SCHEMBL18664167

C/N=C\c1ccc(OCC2CCN(Cc3ccccn3)CC2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ P2RY1 P47900 1/20 0.41
▸ BCHE P06276 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL14163820 0.77 F10 (0.56) F10KDM4ESMN1; SMN2L3MBTL1
SCHEMBL13439739 0.74 F10 (0.53) F10KDM4ESMN1; SMN2L3MBTL1
SCHEMBL18640285 0.73 F10 (0.47) F10KDM4ESMN1; SMN2BCHEACHE
SCHEMBL18639947 0.73 F10 (0.54) F10KDM4ESMN1; SMN2BCHEACHE
SCHEMBL18640220 0.72 F10 (0.47) F10KDM4ESMN1; SMN2BCHEACHE
SCHEMBL8935934 0.69 MAP2K1 (0.53) F10KDM4ESMN1; SMN2BCHEACHE
SCHEMBL13512585 0.69 KDM4E (0.61) KDM4ESMN1; SMN2BCHEACHEL3MBTL1
SCHEMBL29210085 0.68 KDM4E (0.61) F10KDM4ESMN1; SMN2L3MBTL1
SCHEMBL6187603 0.67 F10 (1.00) F10
SCHEMBL803088 0.67 KDM4E (0.59) KDM4ESMN1; SMN2BCHEACHEL3MBTL1

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-2017045751-A1 COMPOUNDS AS ASIC INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-03-23 — — WO disclosed
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