SCHEMBL29505053

SCHEMBL29505053

C=C(C)c1cc(S(=O)(=O)NC)ccc1Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.56
▸ AKR1C3 P42330 2/20 0.52
▸ AKR1C2 P52895 2/20 0.52
▸ MPO P05164 4/20 0.49
▸ IDH2 P48735 2/20 0.48
▸ RXFP1 Q9HBX9 2/20 0.47
▸ TNNI3K Q59H18 4/20 0.47
▸ FFAR1 O14842 1/20 0.46
▸ CDK1 P06493 1/20 0.46
▸ CCNB1 P14635 1/20 0.46
▸ CCNA2 P20248 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ CDK7 P50613 1/20 0.46
▸ CCNH P51946 1/20 0.46
▸ CCNA1 P78396 1/20 0.46
▸ FFAR4 Q5NUL3 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ MMP1 P03956 1/20 0.46
▸ MMP2 P08253 1/20 0.46

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
SCHEMBL22719775 1.00 MAPT (0.56) MAPTAKR1C3AKR1C2MPOIDH2
SCHEMBL29438887 0.90 AKR1C3 (0.58) MAPTAKR1C3AKR1C2MPOIDH2
SCHEMBL22718236 0.90 AKR1C3 (0.58) MAPTAKR1C3AKR1C2MPOIDH2
SCHEMBL22719612 0.84 YAP1 (0.65) MAPTAKR1C3AKR1C2MPOIDH2
SCHEMBL29505020 0.84 YAP1 (0.65) MAPTAKR1C3AKR1C2MPOIDH2
SCHEMBL20779650 0.82 MAPT (0.62) MAPTAKR1C3AKR1C2MPOIDH2
SCHEMBL29438860 0.81 MAPT (0.51) MAPTAKR1C3AKR1C2MPOIDH2
SCHEMBL22718119 0.81 MAPT (0.51) MAPTAKR1C3AKR1C2MPOIDH2
SCHEMBL22719577 0.81 MAPT (0.57) MAPTAKR1C3AKR1C2MPOIDH2
SCHEMBL20779877 0.74 MAPT (0.55) MAPTAKR1C3AKR1C2IDH2TNNI3K

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-3976192-A1 TEAD INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2022-04-06 — — EP disclosed
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