SCHEMBL22452912

SCHEMBL22452912

COC(=O)c1cc(OC)ccc1Nc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.52
▸ LMNA P02545 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ POLB P06746 2/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ MAPK10 P53779 2/20 0.51
▸ MAPK8 P45983 1/20 0.51
▸ MAPT P10636 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ ATM Q13315 1/20 0.46
▸ SCN8A Q9UQD0 1/20 0.45
▸ SCN10A Q9Y5Y9 1/20 0.45
▸ DHODH Q02127 1/20 0.45
▸ MRGPRX4 Q96LA9 1/20 0.44
▸ AKR1C3 P42330 1/20 0.43
▸ AKR1C2 P52895 1/20 0.43
▸ LIPE Q05469 1/20 0.43

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
SCHEMBL22452870 0.93 DHODH (0.54) KMT2ALMNAMEN1POLBSMN1; SMN2
SCHEMBL22452909 0.90 MAPK10 (0.51) KMT2ALMNAMEN1POLBSMN1; SMN2
SCHEMBL22453595 0.88 KMT2A (0.51) KMT2ALMNAMEN1POLBSMN1; SMN2
SCHEMBL22453389 0.86 MAPK10 (0.45) KMT2ALMNAMEN1POLBSMN1; SMN2
SCHEMBL22452868 0.84 MEN1 (0.53) KMT2ALMNAMEN1POLBSMN1; SMN2
SCHEMBL22452471 0.80 MEN1 (0.63) KMT2ALMNAMEN1POLBSMN1; SMN2
SCHEMBL22452737 0.79 MEN1 (0.53) KMT2ALMNAMEN1POLBSMN1; SMN2
SCHEMBL19808846 0.78 LMNA (0.60) KMT2ALMNAMEN1POLBSMN1; SMN2
SCHEMBL11212618 0.77 TDP1 (0.54) KMT2AMEN1MAPTTDP1ATM
SCHEMBL22453592 0.77 MRGPRX4 (0.53) KMT2AMEN1MAPK10MAPK8MAPT

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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