SCHEMBL24749780

SCHEMBL24749780

Nc1cc(F)cc(Oc2ccc(C(F)(F)F)cn2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.52
MAPK1 P28482 1/20 0.51
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 3/20 0.44
RAB9A P51151 2/20 0.44
LIPE Q05469 4/20 0.43
BCHE P06276 1/20 0.43
SCN9A Q15858 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL31694814 1.00 THRB (0.52) THRBMAPK1MAPTNPSR1KMT2A
SCHEMBL31694876 0.84 L3MBTL1 (0.53) THRBMAPK1MAPTNPSR1KMT2A
SCHEMBL24749781 0.84 L3MBTL1 (0.53) THRBMAPK1MAPTNPSR1KMT2A
SCHEMBL24749741 0.84 MAPK1 (0.56) THRBMAPK1MAPTNPSR1KMT2A
SCHEMBL31694827 0.84 MAPK1 (0.56) THRBMAPK1MAPTNPSR1KMT2A
SCHEMBL1011707 0.83 THRB (0.63) THRBMAPK1MAPTNPSR1KMT2A
SCHEMBL20554691 0.81 THRB (0.53) THRBMAPK1MAPTNPSR1KMT2A
SCHEMBL30334879 0.81 MAPK1 (0.67) THRBMAPK1MAPTNPSR1KMT2A
SCHEMBL10500983 0.81 MAPK1 (0.67) THRBMAPK1MAPTNPSR1KMT2A
SCHEMBL1011736 0.81 THRB (0.50) THRBMAPK1MAPTNPSR1KMT2A

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-2022219246-A1 TEAD INHIBITORS ORION CORPORATION (FI) 2022-10-20 WO disclosed