SCHEMBL22453402

SCHEMBL22453402

COC(=O)c1cc(OC)ccc1Nc1ccc(Oc2ccc(C(F)F)cc2Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ PNLIP P16233 4/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ AKR1C3 P42330 6/20 0.43
▸ AKR1C2 P52895 6/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ FFAR1 O14842 1/20 0.41
▸ TAS1R3 Q7RTX0 1/20 0.40
▸ TAS1R1 Q7RTX1 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL22452448 0.92 MEN1 (0.63) MAPTMEN1LMNAKMT2APOLB
SCHEMBL22453595 0.83 KMT2A (0.51) MAPTMEN1LMNAKMT2APOLB
SCHEMBL22453594 0.78 MEN1 (0.47) MAPTMEN1LMNAKMT2APOLB
SCHEMBL10685122 0.76 TDP1 (0.74) MAPTMEN1LMNAKMT2APOLB
SCHEMBL22452471 0.75 MEN1 (0.63) MAPTMEN1LMNAKMT2APOLB
SCHEMBL11158177 0.73 KMT2A (0.67) MAPTMEN1LMNAKMT2APOLB
SCHEMBL22452909 0.73 MAPK10 (0.51) MAPTMEN1LMNAKMT2APOLB
SCHEMBL10685864 0.72 MRGPRX4 (0.51) MAPTMEN1LMNAKMT2APOLB
SCHEMBL22453592 0.72 MRGPRX4 (0.53) MAPTMEN1KMT2APNLIPTDP1
SCHEMBL22452605 0.71 KMT2A (0.67) MAPTMEN1LMNAKMT2APOLB

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-2020190774-A1 NOVEL SMALL MOLECULE INHIBITORS OF TEAD TRANSCRIPTION FACTORS THE GENERAL HOSPITAL CORPORATION (US) 2020-09-24 — — WO disclosed
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