SCHEMBL25624261

SCHEMBL25624261

COC(=O)c1cc2c(cc1[N+](=O)[O-])CC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.53
PDGFRB P09619 1/20 0.47
FGFR1 P11362 1/20 0.47
PDGFRA P16234 1/20 0.47
FLT1 P17948 1/20 0.47
FGFR3 P22607 1/20 0.47
KDR P35968 1/20 0.47
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
VCAM1 P19320 1/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 2/20 0.39

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
SCHEMBL21468508 0.92 SIRT6 (0.50) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL28834758 0.81 MAPT (0.52) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL12604704 0.79 PDGFRB (0.56) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL25228537 0.79 DTYMK (0.50) TDP1MAPTALDH1A1
SCHEMBL31006894 0.79 DTYMK (0.50) TDP1MAPTALDH1A1
SCHEMBL3898466 0.78 TDP1 (0.54) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL2897709 0.78 PDGFRB (0.67) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL4097915 0.78 PDGFRB (0.55) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL2722464 0.78 PDGFRB (0.51) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL1640894 0.78 SIRT6 (0.48) SIRT6PDGFRBFGFR1PDGFRAFLT1

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-2023114819-A1 TETRALINE, PHENYLCYCLOBUTANE, AND PHENYLCYCLOPENTANE ANALOGS AS RXFP1 AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-22 WO disclosed