SCHEMBL29505067

SCHEMBL29505067

CC(=O)c1cccc(C)c1Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF4 Q8WZA2 1/20 0.59
▸ RXFP1 Q9HBX9 6/20 0.57
▸ P2RX1 P51575 2/20 0.55
▸ AKR1C3 P42330 1/20 0.54
▸ AKR1C2 P52895 1/20 0.54
▸ LMNA P02545 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ MAPT P10636 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ PTGS1 P23219 2/20 0.50
▸ TEAD4 Q15561 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ GMNN O75496 1/20 0.50
▸ TTR P02766 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 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
SCHEMBL22719651 1.00 RAPGEF4 (0.59) RAPGEF4RXFP1P2RX1AKR1C3AKR1C2
SCHEMBL22719750 0.89 MEN1 (0.60) RAPGEF4RXFP1P2RX1AKR1C3AKR1C2
SCHEMBL22719798 0.87 RAPGEF4 (0.57) RAPGEF4RXFP1P2RX1AKR1C3AKR1C2
SCHEMBL29505150 0.85 TEAD4 (0.68) RAPGEF4RXFP1P2RX1AKR1C3AKR1C2
SCHEMBL22719664 0.85 TEAD4 (0.68) RAPGEF4RXFP1P2RX1AKR1C3AKR1C2
SCHEMBL29505051 0.82 RAPGEF4 (0.51) RAPGEF4RXFP1P2RX1AKR1C3AKR1C2
SCHEMBL22719694 0.82 RAPGEF4 (0.51) RAPGEF4RXFP1P2RX1AKR1C3AKR1C2
SCHEMBL22829737 0.81 RAPGEF4 (0.53) RAPGEF4RXFP1P2RX1AKR1C3AKR1C2
SCHEMBL12851592 0.81 RXFP1 (0.78) RXFP1AKR1C3AKR1C2LMNAALDH1A1
SCHEMBL12544169 0.78 RXFP1 (0.88) RXFP1P2RX1LMNAMEN1ALDH1A1

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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