SCHEMBL22453595

SCHEMBL22453595

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.51
▸ MAPT P10636 3/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ SCN8A Q9UQD0 2/20 0.50
▸ SCN10A Q9Y5Y9 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ FFAR1 O14842 4/20 0.49
▸ TTR P02766 1/20 0.48
▸ PPOX P50336 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ AKR1C3 P42330 2/20 0.48
▸ AKR1C2 P52895 2/20 0.48
▸ MRGPRX4 Q96LA9 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ ATM Q13315 1/20 0.46
▸ PNLIP P16233 1/20 0.46
▸ HPGD P15428 1/20 0.44
▸ GFER P55789 1/20 0.44

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
SCHEMBL22452471 0.92 MEN1 (0.63) KMT2AMAPTMEN1LMNAPOLB
SCHEMBL22453592 0.88 MRGPRX4 (0.53) KMT2AMAPTMEN1KDM4EFFAR1
SCHEMBL22452912 0.88 KMT2A (0.52) KMT2AMAPTMEN1LMNAPOLB
SCHEMBL11212618 0.85 TDP1 (0.54) KMT2AMAPTMEN1SCN8ASCN10A
SCHEMBL11212778 0.83 TDP1 (0.57) KMT2AMAPTMEN1LMNASCN8A
SCHEMBL22452952 0.83 MAPT (0.51) KMT2AMAPTMEN1LMNAPOLB
SCHEMBL22453402 0.83 MAPT (0.51) KMT2AMAPTMEN1LMNAPOLB
SCHEMBL11238106 0.82 TDP1 (0.58) KMT2AMAPTMEN1SCN8ASCN10A
SCHEMBL29448825 0.82 TDP1 (0.58) KMT2AMAPTMEN1SCN8ASCN10A
SCHEMBL11854430 0.82 TDP1 (0.58) KMT2AMAPTMEN1SCN8ASCN10A

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
Send feedback