SCHEMBL24100415

SCHEMBL24100415

COC(=O)c1ccc([N+](=O)[O-])c(O)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
SIRT6 Q8N6T7 1/20 0.45
TPMT P51580 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GPR35 Q9HC97 1/20 0.42
PDGFRB P09619 1/20 0.42
FGFR1 P11362 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT1 P17948 1/20 0.42
FGFR3 P22607 1/20 0.42
KDR P35968 1/20 0.42
GAA P10253 1/20 0.41
CHEK1 O14757 1/20 0.41
ERN1 O75460 1/20 0.41
VCAM1 P19320 1/20 0.40
LMNA P02545 1/20 0.40
G6PD P11413 1/20 0.40
CRHBP P24387 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
SCHEMBL12565695 0.86 TPMT (0.51) TPMTTDP1MEN1KMT2AGPR35
SCHEMBL27883380 0.85 SIRT6 (0.48) SMN1; SMN2SIRT6TDP1MEN1KMT2A
SCHEMBL6211358 0.83 SIRT6 (0.46) SMN1; SMN2SIRT6TDP1MEN1KMT2A
SCHEMBL647368 0.83 SMN1; SMN2 (0.47) SMN1; SMN2SIRT6TDP1MEN1KMT2A
SCHEMBL7363915 0.81 SMN1; SMN2 (0.53) SMN1; SMN2SIRT6TPMTTDP1MEN1
SCHEMBL15122867 0.81 SIRT6 (0.45) SMN1; SMN2SIRT6TDP1MEN1KMT2A
SCHEMBL24100061 0.81 TDP1 (0.48) SIRT6TDP1MEN1KMT2AGPR35
SCHEMBL4995662 0.81 SMN1; SMN2 (0.46) SMN1; SMN2SIRT6TDP1MEN1KMT2A
SCHEMBL16974729 0.80 TDP1 (0.47) SMN1; SMN2SIRT6TDP1MEN1KMT2A
SCHEMBL1126945 0.79 TSHR (0.53) SMN1; SMN2TDP1MEN1KMT2ALMNA

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
EP-3922247-A1 15-PGDH INHIBITOR Kyorin Pharmaceutical Co., Ltd. (JP) 2021-12-15 EP disclosed