SCHEMBL23833345

SCHEMBL23833345

COCCOc1ncc2cc(O)ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 3/20 0.46
▸ FTO Q9C0B1 1/20 0.43
▸ BRAF P15056 2/20 0.39
▸ PDE10A Q9Y233 5/20 0.37
▸ PDK1 Q15118 1/20 0.37
▸ PDK2 Q15119 1/20 0.37
▸ PDK3 Q15120 1/20 0.37
▸ PDK4 Q16654 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ EGFR P00533 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ PI4KA P42356 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ PI4KB Q9UBF8 1/20 0.34
▸ CBFB Q13951 1/20 0.34

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
SCHEMBL26128691 0.82 FTO (0.57) FTOPDE10AMAPTEGFRESR1
SCHEMBL716117 0.78 TSHR (0.50) TSHREGFR
Hydrochloric Acid SCHEMBL27476977 0.76 TSHR (0.49) TSHREGFR
SCHEMBL21865295 0.74 MIF (0.41) MIFBRAFCBFBPDE3BPDE3A
SCHEMBL3716812 0.73 LTA4H (0.55) MIFFTOMAPTESR1ESR2
SCHEMBL21864851 0.73 PIK3CD (0.40) MIFPDE10AMAPTTSHREGFR
SCHEMBL21864993 0.73 AOC2 (0.51) —
SCHEMBL31731092 0.70 MAPT (0.43) FTOPDE10AMAPTESR1ESR2
SCHEMBL3962548 0.69 FTO (0.57) FTOEGFRESR1ESR2
SCHEMBL22101294 0.68 ACACB (0.42) BRAFMAPTPIK3CDPIK3CAPIK3CB

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
EP-4121526-A1 SYSTEMS AND METHODS TO TRACK THE EVOLUTION OF SINGLE CELLS GENENTECH, INC. (US) 2023-01-25 — — EP disclosed
WO-2021188973-A1 SYSTEMS AND METHODS TO TRACK THE EVOLUTION OF SINGLE CELLS GENENTECH, INC. (US) 2021-09-23 — — WO disclosed
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