SCHEMBL13417404

SCHEMBL13417404

O=C1C(Cl)=C(Nc2cccc(C(F)(F)F)c2)C(=O)C(Cl)=C1Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.58
▸ DHODH Q02127 1/20 0.57
▸ STK10 O94804 1/20 0.54
▸ SLK Q9H2G2 1/20 0.54
▸ IDH2 P48735 2/20 0.51
▸ CDK1 P06493 1/20 0.51
▸ CCNB1 P14635 1/20 0.51
▸ CCNA2 P20248 1/20 0.51
▸ CCND1 P24385 1/20 0.51
▸ CDK2 P24941 1/20 0.51
▸ CDK7 P50613 1/20 0.51
▸ CCNH P51946 1/20 0.51
▸ CCNA1 P78396 1/20 0.51
▸ CDK6 Q00534 1/20 0.51
▸ AKR1C3 P42330 2/20 0.51
▸ AKR1C2 P52895 2/20 0.51
▸ MPO P05164 1/20 0.51
▸ KIF11 P52732 6/20 0.50
▸ RAPGEF4 Q8WZA2 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50

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
SCHEMBL24327526 0.86 DHODH (0.54) ADORA2ADHODHSTK10SLKIDH2
SCHEMBL13961430 0.84 ADORA2A (0.45) ADORA2ADHODHSTK10SLKIDH2
SCHEMBL394991 0.80 KIF11 (0.70) ADORA2AIDH2AKR1C3AKR1C2KIF11
SCHEMBL1921482 0.76 KIF11 (0.70) IDH2AKR1C3AKR1C2KIF11RAPGEF4
SCHEMBL19409877 0.75 IDH2 (0.53) ADORA2ADHODHIDH2AKR1C3AKR1C2
SCHEMBL30671654 0.75 ALDH1A1 (0.59) ADORA2ADHODHIDH2AKR1C3AKR1C2
SCHEMBL30575363 0.74 IDH2 (0.77) ADORA2AIDH2AKR1C3AKR1C2KIF11
SCHEMBL7347670 0.74 IDH2 (0.77) ADORA2AIDH2AKR1C3AKR1C2KIF11
SCHEMBL8134433 0.74 XPO1 (0.50) ADORA2ASTK10SLKCDK1CCNB1
SCHEMBL1921484 0.73 MAPT (0.77) ADORA2AIDH2AKR1C3AKR1C2MPO

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
US-7683145-B2 Method for the emulsion polymerization of olefins BASF SE (DE) 2010-03-23 — — US disclosed
US-7683145-B2 Method for the emulsion polymerization of olefins BASF SE (DE) 2010-03-23 — — US disclosed
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