SCHEMBL8550322

SCHEMBL8550322

COC(=O)c1ccccc1C(F)(F)F.O=c1c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
CFTR P13569 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HSD17B10 Q99714 1/20 0.45
BRD4 O60885 2/20 0.44
KDM4E B2RXH2 2/20 0.44
RBP4 P02753 1/20 0.44
POLB P06746 1/20 0.44
ATM Q13315 1/20 0.44
NR4A2 P43354 2/20 0.43
CREBBP Q92793 1/20 0.43
ABL1 P00519 1/20 0.43
SRC P12931 1/20 0.43
CNR2 P34972 1/20 0.43
RECQL P46063 1/20 0.42

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
SCHEMBL45490 0.90 LMNA (0.59) LMNAGAATSHRCFTRALDH1A1
SCHEMBL10391427 0.81 LMNA (0.45) LMNAGAATSHRCFTRALDH1A1
SCHEMBL27706769 0.78 BRD4 (0.47) LMNATSHRCFTRALDH1A1HSD17B10
SCHEMBL10519876 0.76 LMNA (0.58) LMNAGAAL3MBTL1TDP1CNR2
SCHEMBL1405144 0.76 LMNA (0.58) LMNAGAAL3MBTL1TDP1CNR2
SCHEMBL5239843 0.76 CTSS (0.51) LMNAGAATSHRCFTRALDH1A1
SCHEMBL1508457 0.76 LMNA (0.50) LMNAGAATSHRL3MBTL1CFTR
SCHEMBL726068 0.76 TAS2R14 (0.54) LMNAGAATSHRCFTRALDH1A1
SCHEMBL27570825 0.74 LMNA (0.56) LMNAGAAL3MBTL1TDP1CNR2
SCHEMBL11074677 0.74 LMNA (0.56) LMNAGAAL3MBTL1TDP1CNR2

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-0825187-A1 Condensed pyridazinyl guanidines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-25 EP disclosed