SCHEMBL27416701

SCHEMBL27416701

CC(=O)OC1Cc2cc(F)ccc2N1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 4/20 0.38
HTT P42858 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TSHR P16473 3/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
CNR2 P34972 1/20 0.35
HSD17B3 P37058 1/20 0.35
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA3 P42263 1/20 0.35
GRIA4 P48058 1/20 0.35
HSP90AA1 P07900 2/20 0.34

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
SCHEMBL9241857 0.86 NOTUM (0.40) NOTUMKMT2AALDH1A1HTTNPC1
SCHEMBL27342035 0.79 NOTUM (0.47) NOTUMKMT2AMEN1HSD17B3
SCHEMBL8689935 0.74 NOTUM (0.41) NOTUMALDH1A1HTTNPC1RAB9A
SCHEMBL28381288 0.72 SLC6A4 (0.42) NOTUMKMT2AMAPT
SCHEMBL27416702 0.71 MAPK1 (0.44) NOTUMKMT2AALDH1A1HTTNPC1
SCHEMBL9868101 0.71 ALDH1A1 (0.44) NOTUMKMT2AALDH1A1HTTNPC1
SCHEMBL21172772 0.69 ALDH1A1 (0.42) NOTUMKMT2AALDH1A1HTTNPC1
SCHEMBL21172761 0.69 ALDH1A1 (0.42) NOTUMKMT2AALDH1A1HTTNPC1
SCHEMBL32673424 0.69 NOTUM (0.62) NOTUMKMT2AALDH1A1HTTNPC1
SCHEMBL26818892 0.69 NOTUM (0.48) NOTUMKMT2AALDH1A1HTTNPC1

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-1118347-A Benzotoudened 5-ringneterocycl, preparation and phamaceutical and diagnostic use of same HOECHST AG (DE) 1996-03-13 CN disclosed