SCHEMBL8173579

SCHEMBL8173579

COC(=O)c1cc2c(cc1[N+](=O)[O-])sc1cc([N+](=O)[O-])c(C(=O)O)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.41
PDGFRB P09619 1/20 0.41
FGFR1 P11362 1/20 0.41
PDGFRA P16234 1/20 0.41
FLT1 P17948 1/20 0.41
FGFR3 P22607 1/20 0.41
KDR P35968 1/20 0.41
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
DTYMK P23919 1/20 0.39
AKR1C3 P42330 3/20 0.38
AKR1C2 P52895 3/20 0.38
AKR1B10 O60218 1/20 0.38
AKR1B1 P15121 1/20 0.38
AKR1C4 P17516 1/20 0.38
AKR1C1 Q04828 1/20 0.38
VCAM1 P19320 1/20 0.37
POLB P06746 1/20 0.37
TPMT P51580 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL8173577 0.94 SIRT6 (0.45) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL8163022 0.91 TDP1 (0.43) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL8169197 0.88 DTYMK (0.47) TSHRTDP1DTYMKALDH1A1
SCHEMBL8163021 0.86 TDP1 (0.46) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL8168238 0.80 DTYMK (0.41) TSHRTDP1DTYMKVCAM1ALDH1A1
SCHEMBL2722103 0.77 PDGFRB (0.48) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL25232489 0.76 MAPT (0.52) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL30457588 0.76 MAPT (0.52) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL28708249 0.75 POLB (0.46) TSHRTDP1POLBTPMTPKM
SCHEMBL8169568 0.74 KDM4E (0.50) TSHRPOLBALDH1A1MEN1KMT2A

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
US-6022307-A ANGIOGENESIS INHIBITOR AMERICAN CYANAMID COMPANY (US) 2000-02-08 US disclosed