SCHEMBL8670592

SCHEMBL8670592

CC(C(=O)N1CCOCC1)n1c(C(F)(F)F)nc2c(NC(=O)c3c(Cl)ccc(C=O)c3Cl)cccc21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.36
IRAK4 Q9NWZ3 6/20 0.35
PIK3CD O00329 4/20 0.35
PIK3R1 P27986 4/20 0.35
PIK3CA P42336 4/20 0.35
PIK3CB P42338 4/20 0.35
RORC P51449 2/20 0.34
BTK Q06187 2/20 0.34
PTGES O14684 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 1/20 0.33
PTK2 Q05397 1/20 0.33

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
SCHEMBL8599739 0.90 KMT2A (0.41) KMT2ALMNAIRAK4PIK3CDPIK3R1
SCHEMBL8601415 0.75 LMNA (0.46) KMT2ALMNAPTGES
SCHEMBL8599534 0.74 LMNA (0.41) KMT2ALMNAPTGES
SCHEMBL8670588 0.72 RORC (0.35) KMT2AIRAK4RORCPTGES
SCHEMBL8565463 0.72 IRAK4 (0.48) IRAK4TSHR
SCHEMBL13990316 0.72 IRAK4 (0.49) IRAK4MAPT
SCHEMBL8602584 0.72 IRAK4 (0.44) IRAK4MAPT
SCHEMBL8601960 0.71 LMNA (0.41) KMT2ALMNAPTGESMAPT
SCHEMBL8670346 0.71 PTGES (0.36) LMNAPTGESMAPT
SCHEMBL8597841 0.71 PTGES (0.37) PTGES

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