SCHEMBL29613588

SCHEMBL29613588

COC(=O)c1cc(C(F)F)cc([N+](=O)[O-])c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.46
FGFR1 P11362 1/20 0.46
PDGFRA P16234 1/20 0.46
FLT1 P17948 1/20 0.46
FGFR3 P22607 1/20 0.46
KDR P35968 1/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SIRT6 Q8N6T7 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 3/20 0.40
LMNA P02545 2/20 0.40
GALR2 O43603 1/20 0.40
MITF O75030 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HPGD P15428 1/20 0.40
XBP1 P17861 1/20 0.40
CCR6 P51684 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL19786043 1.00 PDGFRB (0.46) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL19786044 0.85 TSHR (0.51) SMN1; SMN2POLBTSHRTDP1GLA
SCHEMBL2046728 0.83 PDGFRB (0.49) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL31159174 0.83 PDGFRB (0.49) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL31615758 0.80 PDGFRB (0.55) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL6828146 0.80 GPR35 (0.52) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL13280358 0.78 PDGFRB (0.50) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL5628047 0.78 KMT2A (0.56) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL1335411 0.77 PDGFRB (0.49) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL2043408 0.77 MEN1 (0.50) PDGFRBFGFR1PDGFRAFLT1FGFR3

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
CN-109476653-B Heteroaromatic modulators of retinoid-related orphan receptor gamma 利奥制药有限公司 2022-04-22 CN disclosed