SCHEMBL27361276

SCHEMBL27361276

Cc1cccc2c1-c1ccccc1[CH]2.Cl[Zr]Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.39
MYC P01106 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CYP3A4 P08684 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
DPP4 P27487 1/20 0.34
PDK2 Q15119 1/20 0.34
TSHR P16473 2/20 0.33
HTR7 P34969 2/20 0.33
NPC1 O15118 2/20 0.33
CASP3 P42574 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
SENP7 Q9BQF6 2/20 0.33
SENP6 Q9GZR1 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL2047398 0.92 CD44 (0.44) CD44MYCCA1CA2CA7
SCHEMBL27408876 0.90 CD44 (0.43) CD44MYCCA1CA2CA7
SCHEMBL27382777 0.89 CD44 (0.39) CD44MYCCA1CA2CA7
SCHEMBL28219419 0.82 PDK2 (0.37) CD44CA1CA2CA7CA9
SCHEMBL27365006 0.77 TSHR (0.33) CD44MYCCYP3A4TDP1TSHR
SCHEMBL27546905 0.77 ALDH1A1 (0.39) DPP4ALDH1A1MAPK1CYP2A6
SCHEMBL28858765 0.77 CA1 (0.42) CA1CA2CA7CA9TDP1
SCHEMBL28199759 0.77 MAPT (0.46) TDP1PDK2TSHRRAB9ASMN1; SMN2
SCHEMBL2050326 0.76 CD44 (0.48) CD44MYCCA1CA2CA7
SCHEMBL27618349 0.76 ALDH1A1 (0.37) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1068829-A Organometallic fluorenyl compounds and preparation thereof and application PHILLIPS PETROLEUM CO (US) 1993-02-10 CN claimed
CN-1068829-A Organometallic fluorenyl compounds and preparation thereof and application PHILLIPS PETROLEUM CO (US) 1993-02-10 CN disclosed