SCHEMBL22453592

SCHEMBL22453592

COC(=O)c1ccccc1Nc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 2/20 0.53
▸ MAPT P10636 2/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ FFAR1 O14842 4/20 0.50
▸ PNLIP P16233 5/20 0.48
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ TTR P02766 1/20 0.47
▸ PPOX P50336 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ MAPK8 P45983 1/20 0.46
▸ MAPK10 P53779 1/20 0.46
▸ ATM Q13315 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ STK39 Q9UEW8 1/20 0.45

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
SCHEMBL22452468 0.89 MEN1 (0.56) MRGPRX4MAPTFFAR1PNLIPKMT2A
SCHEMBL22453595 0.88 KMT2A (0.51) MRGPRX4MAPTFFAR1PNLIPKMT2A
SCHEMBL21765032 0.83 MAPT (0.69) MAPTALOX15KMT2AMEN1KDM4E
SCHEMBL22452471 0.82 MEN1 (0.63) MAPTFFAR1KMT2AMEN1TTR
SCHEMBL11854430 0.81 TDP1 (0.58) MRGPRX4MAPTFFAR1KMT2AMEN1
SCHEMBL29448825 0.81 TDP1 (0.58) MRGPRX4MAPTFFAR1KMT2AMEN1
SCHEMBL11238106 0.81 TDP1 (0.58) MRGPRX4MAPTFFAR1KMT2AMEN1
SCHEMBL11212778 0.80 TDP1 (0.57) MRGPRX4MAPTFFAR1KMT2AMEN1
SCHEMBL11212618 0.79 TDP1 (0.54) MRGPRX4MAPTFFAR1KMT2AMEN1
SCHEMBL11212740 0.79 TDP1 (0.54) MRGPRX4MAPTFFAR1KMT2AMEN1

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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