SCHEMBL8670583

SCHEMBL8670583

CC[N+]1(C(=O)N2CCOCC2)C(C(F)(F)F)=Nc2c(NC(=O)c3c(Cl)ccc(C=O)c3Cl)cccc21

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
IRAK4 Q9NWZ3 10/20 0.35
CDK14 O94921 1/20 0.32
CCNY Q8ND76 1/20 0.32
ALDH1A1 P00352 1/20 0.32
FLT3 P36888 1/20 0.32
MAPT P10636 1/20 0.31
RORC P51449 2/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SLC6A9 P48067 1/20 0.31

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
SCHEMBL8670592 0.70 KMT2A (0.38) TSHRKDM4EHSD17B10IRAK4MAPT
SCHEMBL8598377 0.69 ALDH1A1 (0.43) TSHRALDH1A1POLB
SCHEMBL8596742 0.69 PTGES (0.36) TSHRCDK14CCNYPOLB
SCHEMBL8670588 0.67 RORC (0.35) IRAK4RORC
SCHEMBL8670342 0.65 MAPK8 (0.36) TSHRKDM4EHSD17B10CDK14CCNY
SCHEMBL8597839 0.64 TYK2 (0.36) TSHRKDM4EHSD17B10CDK14CCNY
SCHEMBL8670585 0.62 P2RX7 (0.40) KDM4E
SCHEMBL8565463 0.60 IRAK4 (0.48) TSHRIRAK4FLT3
SCHEMBL8602584 0.59 IRAK4 (0.44) IRAK4FLT3MAPT
SCHEMBL8598882 0.59 TYK2 (0.44) ALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863881-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-09-16 EP disclosed
WO-1997010219-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-20 WO disclosed