SCHEMBL7990897

SCHEMBL7990897

CCCS(=O)(=O)NC(=O)c1ccccc1CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.46
KCNA5 P22460 1/20 0.44
HTT P42858 2/20 0.41
KAT6A Q92794 1/20 0.41
FLT1 P17948 2/20 0.40
FLT4 P35916 2/20 0.40
KDR P35968 2/20 0.40
TSHR P16473 1/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
PTPN1 P18031 1/20 0.39
CLCN2 P51788 1/20 0.39
HPGD P15428 3/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL7991060 0.88 F2R (0.46) F2RKCNA5HTTKAT6AFLT1
SCHEMBL7983472 0.84 FLT1 (0.52) F2RKCNA5FLT1FLT4KDR
SCHEMBL7990936 0.83 HPGD (0.55) F2RFLT1FLT4KDRHPGD
SCHEMBL7991909 0.83 HPGD (0.56) F2RKAT6AHPGDGAAKDM4E
SCHEMBL7973458 0.83 ALDH1A1 (0.49) F2RKCNA5HTTHPGDKDM4E
SCHEMBL7987833 0.81 MYC (0.54) F2RHTTKAT6AFLT1FLT4
SCHEMBL7987112 0.80 CTSD (0.58) TSHRHPGDGAAMEN1ALDH1A1
SCHEMBL7973398 0.80 KCNA5 (0.41) F2RKCNA5HTTTSHRPTPN1
SCHEMBL7984835 0.79 HCRTR1 (0.60) HTTTSHRHPGDGAAKDM4E
SCHEMBL7973501 0.78 PTPN1 (0.53) KCNA5FLT1FLT4KDRPTPN1

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-6331628-B1 REACTING A SUBSTITUTED HALOBENZENE WITH POTASSIUM, SODIUM AND/OR ZINC CYANIDE IN THE PRESENCE OF A METALLIC CATALYST NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2001-12-18 US disclosed