SCHEMBL10700253

SCHEMBL10700253

CC1=C(c2ccccc2)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.45
CDC25B P30305 1/20 0.45
ALDH1A1 P00352 5/20 0.42
FGFR1 P11362 4/20 0.42
FGFR2 P21802 4/20 0.42
FGFR4 P22455 4/20 0.42
FGFR3 P22607 4/20 0.42
MAPT P10636 3/20 0.42
MITF O75030 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SRC P12931 2/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PDCD1 Q15116 1/20 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
SCHEMBL15730042 0.81 MAPT (0.61) CDC25ACDC25BALDH1A1FGFR1FGFR2
SCHEMBL5138652 0.81 CDC25B (0.58) CDC25ACDC25BALDH1A1FGFR1FGFR2
SCHEMBL5138007 0.81 CDC25A (0.40) CDC25ACDC25BALDH1A1FGFR1FGFR2
SCHEMBL7107949 0.80 MAPT (0.37) CDC25ACDC25BALDH1A1FGFR1FGFR2
SCHEMBL4590579 0.78 ALDH1A1 (0.48) ALDH1A1MAPTMITFHTTNPSR1
SCHEMBL19879495 0.77 ALDH1A1 (0.50) CDC25ACDC25BALDH1A1FGFR1FGFR2
SCHEMBL9068235 0.73 TSHR (0.47) CDC25ACDC25BALDH1A1MAPTHTT
SCHEMBL9695242 0.72 MAPT (0.61) CDC25ACDC25BALDH1A1FGFR1FGFR2
SCHEMBL9359484 0.70 ALDH1A1 (0.42) CDC25ACDC25BALDH1A1MAPTMITF
SCHEMBL532969 0.69 ALDH1A1 (0.67) ALDH1A1MAPTHTTLMNATDP1

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-0251357-A1 Engineering thermoplastics containing pendant benzocyclobutene groups SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-01-07 EP disclosed