SCHEMBL22453403

SCHEMBL22453403

COC(=O)c1cc(OC)ccc1Nc1ccc(N(C)c2ccc(C=O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
LMNA P02545 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
AKR1C3 P42330 8/20 0.44
AKR1C2 P52895 8/20 0.44
MTNR1A P48039 4/20 0.43
MTNR1B P49286 4/20 0.43
TUBB1 Q9H4B7 2/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42

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
SCHEMBL22452605 0.86 KMT2A (0.67) MEN1LMNAKMT2APOLBMAPT
SCHEMBL22453590 0.84 MEN1 (0.49) MEN1LMNAKMT2APOLBMAPT
SCHEMBL22453387 0.84 MEN1 (0.58) MEN1LMNAKMT2APOLBMAPT
SCHEMBL22452595 0.83 MEN1 (0.48) MEN1LMNAKMT2APOLBMAPT
SCHEMBL22452887 0.83 AKR1C3 (0.48) MEN1LMNAKMT2APOLBMAPT
SCHEMBL22453437 0.83 MTNR1A (0.46) MEN1LMNAKMT2APOLBMAPT
SCHEMBL22453596 0.82 MAPT (0.47) MEN1LMNAKMT2APOLBMAPT
SCHEMBL22452831 0.81 KCNK2 (0.52) MEN1LMNAKMT2APOLBMAPT
SCHEMBL22453599 0.81 TUBB4A (0.46) MEN1LMNAKMT2APOLBMAPT
SCHEMBL22453331 0.79 MEN1 (0.67) 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