SCHEMBL9467972

SCHEMBL9467972

O=C(N1CCOc2ccc(I)cc21)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
POLB P06746 3/20 0.43
TP53 P04637 2/20 0.43
EGFR P00533 1/20 0.42
ITK Q08881 1/20 0.42
NOTUM Q6P988 1/20 0.41
LMNA P02545 1/20 0.38
THRB P10828 2/20 0.38
KMT2A Q03164 1/20 0.38
PAX8 Q06710 1/20 0.38
CA12 O43570 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
PDK1 Q15118 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL13606320 0.83 MAPT (0.55) MAPTPOLBTP53LMNATHRB
SCHEMBL1670547 0.82 EGFR (0.37) MAPTPOLBTP53EGFRITK
SCHEMBL13185172 0.81 POLB (0.45) MAPTPOLBTP53EGFRITK
SCHEMBL13165272 0.81 ALDH1A1 (0.45) MAPTPOLBTP53EGFRITK
SCHEMBL20927033 0.80 MAPT (0.42) MAPTPOLBTP53EGFRITK
SCHEMBL1670973 0.80 NOTUM (0.65) MAPTPOLBTP53NOTUMLMNA
SCHEMBL1908591 0.79 KMT2A (0.46) MAPTPOLBTP53EGFRITK
SCHEMBL18568320 0.75 CA12 (0.43) MAPTPOLBTP53EGFRITK
SCHEMBL2616853 0.73 CA12 (0.44) MAPTNOTUMCA12CA1CA2
SCHEMBL4139993 0.72 CA12 (0.63) MAPTNOTUMCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5260294-A Treatment of diseases caused by oxidative metabolism of arachidonic acid; antiinflammatory, antiallergins, antiarthriric HOFFMAN-LA ROCHE INC. (US) 1993-11-09 US disclosed
US-5132310-A Benzochroman compounds, lipoxygenase inhibitors HOFFMANN-LA ROCHE INC. (US) 1992-07-21 US disclosed
US-5015661-A Lipoxygenase inhibitors HOFFMANN-LA ROCHE INC. (US) 1991-05-14 US disclosed