SCHEMBL27067091

SCHEMBL27067091

COC(=O)c1cc(C2(C)CCNC2=O)ccc1Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 2/20 0.42
▸ AKR1C2 P52895 2/20 0.42
▸ CFTR P13569 1/20 0.37
▸ JAK2 O60674 2/20 0.37
▸ JAK1 P23458 2/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ IDH1 O75874 4/20 0.37
▸ HSPA9 P38646 1/20 0.36
▸ ESRRA P11474 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ KIF11 P52732 1/20 0.34
▸ GUSB P08236 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RECQL P46063 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
SCHEMBL31374699 0.87 AKR1C3 (0.41) AKR1C3AKR1C2JAK2JAK1TYK2
SCHEMBL27035563 0.87 AKR1C3 (0.41) AKR1C3AKR1C2JAK2JAK1TYK2
SCHEMBL27035553 0.86 AKR1C3 (0.42) AKR1C3AKR1C2JAK2JAK1TYK2
SCHEMBL27035626 0.83 JAK2 (0.39) AKR1C3AKR1C2JAK2JAK1TYK2
SCHEMBL30683308 0.83 JAK2 (0.39) AKR1C3AKR1C2JAK2JAK1TYK2
SCHEMBL27035554 0.78 JAK2 (0.38) AKR1C3AKR1C2JAK2JAK1TYK2
SCHEMBL30683313 0.76 TEAD1 (0.37) AKR1C3AKR1C2JAK2JAK1TYK2
SCHEMBL27035562 0.76 JAK2 (0.39) AKR1C3AKR1C2JAK2JAK1TYK2
SCHEMBL27035687 0.76 TEAD1 (0.37) AKR1C3AKR1C2JAK2JAK1TYK2
SCHEMBL27035651 0.76 JAK1 (0.42) JAK2JAK1TYK2JAK3HSPA9

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
WO-2024020350-A1 TEAD INHIBITORS AND METHODS OF USE SPOROS BIODISCOVERY, INC. (US) 2024-01-25 — — WO disclosed
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