SCHEMBL22453258

SCHEMBL22453258

COc1ccc(Nc2ccc(N(C)c3ccc(S(F)(F)(F)(F)F)cc3)nc2)c(C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

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
HPGD P15428 1/20 0.45
GFER P55789 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
AKR1C3 P42330 11/20 0.44
AKR1C2 P52895 11/20 0.44
PTGS1 P23219 1/20 0.42
DHODH Q02127 5/20 0.42
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
CYP1A2 P05177 1/20 0.40

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
SCHEMBL22452917 0.93 MAPT (0.40) MEN1LMNAKMT2APOLBMAPT
SCHEMBL22453669 0.88 MEN1 (0.60) MEN1LMNAKMT2APOLBMAPT
SCHEMBL22452733 0.87 DHODH (0.53) MEN1LMNAKMT2APOLBMAPT
SCHEMBL22452867 0.87 MEN1 (0.49) MEN1LMNAKMT2APOLBMAPT
SCHEMBL22452457 0.83 MEN1 (0.52) MEN1LMNAKMT2APOLBMAPT
SCHEMBL22452865 0.82 DHODH (0.49) MEN1LMNAKMT2APOLBMAPT
SCHEMBL22452913 0.80 LIPE (0.44) MEN1LMNAKMT2APOLBMAPT
SCHEMBL22452595 0.80 MEN1 (0.48) MEN1LMNAKMT2APOLBMAPT
SCHEMBL22452450 0.79 MEN1 (0.46) MEN1LMNAKMT2APOLBMAPT
SCHEMBL22452445 0.79 MEN1 (0.46) 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