SCHEMBL8670588

SCHEMBL8670588

CCc1ccc2c(nc(C(F)(F)F)n2C(=O)N2CCOCC2)c1NC(=O)c1c(Cl)ccc(C=O)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RORC P51449 12/20 0.35
KMT2A Q03164 2/20 0.33
PIK3C2B O00750 1/20 0.33
USP2 O75604 1/20 0.32
PKM P14618 1/20 0.32
IRAK4 Q9NWZ3 2/20 0.32
PTGES O14684 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL8600310 0.74 LCK (0.40) RORCPIK3C2B
SCHEMBL8602077 0.74 ALDH1A1 (0.39) RORCKMT2AUSP2PKMMEN1
SCHEMBL8670592 0.72 KMT2A (0.38) RORCKMT2AIRAK4PTGES
SCHEMBL8602830 0.70 TSHR (0.46) IRAK4
SCHEMBL8598381 0.68 ALDH1A1 (0.41) RORCKMT2APTGESMEN1
SCHEMBL8670583 0.67 TSHR (0.35) RORCIRAK4
SCHEMBL8602584 0.65 IRAK4 (0.44) PIK3C2BIRAK4
SCHEMBL8670585 0.63 P2RX7 (0.40)
SCHEMBL8565463 0.62 IRAK4 (0.48) IRAK4
SCHEMBL8601990 0.62 KMT2A (0.40) KMT2APTGES

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