SCHEMBL16634808

SCHEMBL16634808

CC1(COc2ccc3c(c2)[nH]c(=O)n3-c2ccc(C(=O)O)c(C(C)(C)C)c2F)COC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR3 P22607 1/20 0.35
CACNA1H O95180 5/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33
FFAR1 O14842 4/20 0.33
HRH3 Q9Y5N1 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
HSP90AA1 P07900 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
KMT2A Q03164 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
SCHEMBL16634719 0.83 AURKA (0.37) FGFR1FGFR2FGFR3CACNA1HCACNA1G
SCHEMBL16634807 0.79 CACNA1H (0.34) FGFR1FGFR2FGFR3CACNA1HCACNA1G
SCHEMBL16634795 0.67 DAO (0.44) HSP90AA1
SCHEMBL13340811 0.60 HIF1A (0.42) CACNA1HCACNA1GCACNA1IFFAR1ACACB
SCHEMBL15262867 0.59 PLA2G2A (0.43) CACNA1HCACNA1GCACNA1IFFAR1MEN1
SCHEMBL9935890 0.59 ACACB (0.50) CACNA1HCACNA1GCACNA1IFFAR1ACACB
SCHEMBL21447017 0.59 ACACB (0.43) FGFR1FGFR2FGFR3CACNA1HCACNA1G
SCHEMBL13859582 0.59 CACNA1H (0.39) CACNA1HCACNA1GCACNA1IFFAR1ACACB
SCHEMBL24485425 0.59 SLC26A4 (0.58) MEN1MAPTTSHRBLMKMT2A
SCHEMBL29629701 0.59 SLC26A4 (0.58) MEN1MAPTTSHRBLMKMT2A

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
WO-2015052675-A1 SUBSTITUTED DIHYDRO-BENZIMIDAZOLE COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-04-16 WO disclosed