SCHEMBL21252452

SCHEMBL21252452

C=CC(=O)NCC1CCOC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
NAMPT P43490 14/20 0.38
ALOX15 P16050 1/20 0.35
TGM2 P21980 1/20 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
SCHEMBL10193849 0.89 ALDH1A1 (0.43) ALDH1A1TSHRTDP1MAPK1LMNA
SCHEMBL18936072 0.80 NAMPT (0.40) TDP1MAPK1NAMPT
SCHEMBL15185945 0.79 NAMPT (0.35) TSHRNAMPTALOX15
SCHEMBL16288468 0.79 NAMPT (0.35) TSHRNAMPTALOX15
SCHEMBL16287230 0.79 NAMPT (0.35) TSHRNAMPTALOX15
SCHEMBL15185941 0.79 NAMPT (0.35) TSHRNAMPTALOX15
SCHEMBL10729681 0.79 ALDH1A1 (0.52) ALDH1A1TSHRTDP1MAPK1LMNA
SCHEMBL368411 0.79
SCHEMBL16288859 0.78 NAMPT (0.36) ALDH1A1TSHRLMNANAMPTALOX15
SCHEMBL15185946 0.78 NAMPT (0.36) ALDH1A1TSHRLMNANAMPTALOX15

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-3524603-A1 FGFR4 INHIBITOR, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2019-08-14 EP disclosed