SCHEMBL30768372

SCHEMBL30768372

COC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
XDH P47989 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SOS1 Q07889 1/20 0.40
SIRT6 Q8N6T7 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PDGFRB P09619 1/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT1 P17948 1/20 0.40
FGFR3 P22607 1/20 0.40
KDR P35968 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
SCHEMBL24749512 1.00 TDP1 (0.51) TDP1RAB9AMEN1KMT2AXDH
SCHEMBL29938615 0.95 TDP1 (0.47) TDP1RAB9AMEN1KMT2AXDH
SCHEMBL30768319 0.86 SOS1 (0.42) TDP1RAB9AMEN1KMT2AALDH1A1
SCHEMBL5192099 0.84 ABCB1 (0.45) TDP1SIRT6PDGFRBFGFR1PDGFRA
SCHEMBL21072635 0.84 XDH (0.58) TDP1RAB9AXDHALDH1A1HPGD
SCHEMBL24750235 0.83 CTSD (0.50) TDP1RAB9AMEN1KMT2AHPGD
SCHEMBL31009332 0.82 HPGD (0.50) TDP1MEN1KMT2AXDHALDH1A1
SCHEMBL1571262 0.82 AKR1C3 (0.54) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL7688039 0.80 MEN1 (0.45) TDP1RAB9AMEN1KMT2AALDH1A1
SCHEMBL31009338 0.79 MAPT (0.52) TDP1MEN1KMT2AXDHALDH1A1

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-117500786-A TEAD inhibitors 奥赖恩公司 2024-02-02 CN disclosed