SCHEMBL22452448

SCHEMBL22452448

COc1ccc(Nc2ccc(Oc3ccc(C(F)F)cc3Cl)cc2)c(C(=O)O)c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.63
▸ LMNA P02545 2/20 0.63
▸ KMT2A Q03164 2/20 0.63
▸ POLB P06746 2/20 0.63
▸ MAPT P10636 1/20 0.63
▸ HPGD P15428 1/20 0.55
▸ GFER P55789 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ AKR1C3 P42330 12/20 0.51
▸ AKR1C2 P52895 12/20 0.51
▸ FABP3 P05413 1/20 0.47
▸ FABP4 P15090 1/20 0.47
▸ CTSV O60911 1/20 0.47
▸ CTSL P07711 1/20 0.47
▸ PNLIP P16233 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ FFAR1 O14842 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
SCHEMBL22453402 0.92 MAPT (0.51) MEN1LMNAKMT2APOLBMAPT
SCHEMBL22452471 0.83 MEN1 (0.63) MEN1LMNAKMT2APOLBMAPT
SCHEMBL22452475 0.78 MEN1 (0.58) MEN1LMNAKMT2APOLBMAPT
SCHEMBL9593627 0.78 MEN1 (0.83) MEN1LMNAKMT2APOLBMAPT
SCHEMBL22650202 0.77 MEN1 (0.73) MEN1LMNAKMT2APOLBMAPT
SCHEMBL22453595 0.75 KMT2A (0.51) MEN1LMNAKMT2APOLBMAPT
SCHEMBL9593591 0.74 AKR1C3 (0.79) MEN1LMNAKMT2APOLBMAPT
SCHEMBL10834390 0.74 MEN1 (0.77) MEN1LMNAKMT2APOLBMAPT
SCHEMBL10652538 0.74 AKR1C3 (0.78) MEN1LMNAKMT2APOLBMAPT
SCHEMBL5676620 0.73 MEN1 (0.75) MEN1LMNAKMT2APOLBMAPT

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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