SCHEMBL21257797

SCHEMBL21257797

CN1CC(=O)N(I)c2cccc(F)c2C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ NOTUM Q6P988 1/20 0.39
▸ AADAT Q8N5Z0 1/20 0.38
▸ SLC6A2 P23975 3/20 0.34
▸ SLC6A4 P31645 2/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ HTR7 P34969 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ DPP8 Q6V1X1 2/20 0.32
▸ DPP9 Q86TI2 2/20 0.32
▸ DPP7 Q9UHL4 2/20 0.32

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
SCHEMBL21257792 0.76 AADAT (0.36) MEN1KMT2ANOTUMAADATSLC6A2
SCHEMBL21257766 0.74 IKBKB (0.38) MEN1KMT2AMAPK1DPP8DPP9
SCHEMBL21257763 0.70 ALDH1A1 (0.36) SLC6A2SLC6A4HTR7DPP8DPP9
SCHEMBL21257759 0.70 SLC6A2 (0.40) MEN1KMT2ANOTUMSLC6A2SLC6A4
SCHEMBL7898062 0.70 KCNH2 (0.44) NOTUMSLC6A2SLC6A4DPP8DPP9
SCHEMBL26621513 0.69 MEN1 (0.44) MEN1KMT2ANOTUMAADATMGLL
SCHEMBL8557973 0.68 NOTUM (0.49) MEN1KMT2ANOTUMAADATSLC6A4
SCHEMBL21257762 0.68 HTT (0.46) MEN1KMT2AMAPK1
SCHEMBL12853675 0.68 SLC6A2 (0.37) MEN1KMT2ANOTUMSLC6A2SLC6A4
SCHEMBL19326941 0.65 NOTUM (0.46) MEN1KMT2ANOTUMAADATMGLL

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-2019154261-A1 PYRIDINE DERIVATIVE RELATED TO KMD5 PATHWAY 南京明德新药研发股份有限公司 2019-08-15 — — WO disclosed
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