SCHEMBL22452476

SCHEMBL22452476

COc1ccc(Nc2ccc(N(C)c3ccc(OC(F)(F)F)cc3)cc2)c(C(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
LMNA P02545 2/20 0.60
KMT2A Q03164 2/20 0.60
POLB P06746 1/20 0.60
MAPT P10636 1/20 0.60
AKR1C3 P42330 15/20 0.53
AKR1C2 P52895 15/20 0.53
HPGD P15428 1/20 0.52
GFER P55789 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CTSV O60911 1/20 0.50
CTSL P07711 1/20 0.50
DHODH Q02127 1/20 0.46
KCNK2 O95069 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
SCHEMBL22453590 0.92 MEN1 (0.49) MEN1LMNAKMT2APOLBMAPT
SCHEMBL22452720 0.89 MEN1 (0.60) MEN1LMNAKMT2APOLBMAPT
SCHEMBL22453050 0.88 MEN1 (0.46) MEN1LMNAKMT2APOLBMAPT
SCHEMBL22453458 0.88 MEN1 (0.46) MEN1LMNAKMT2APOLBMAPT
SCHEMBL22452867 0.88 MEN1 (0.49) MEN1LMNAKMT2APOLBMAPT
SCHEMBL22453331 0.87 MEN1 (0.67) MEN1LMNAKMT2APOLBMAPT
SCHEMBL22453289 0.86 AKR1C3 (0.67) MEN1LMNAKMT2APOLBMAPT
SCHEMBL22453054 0.86 KCNK2 (0.62) MEN1LMNAKMT2APOLBMAPT
SCHEMBL22453288 0.86 MEN1 (0.57) MEN1LMNAKMT2APOLBMAPT
SCHEMBL22453057 0.85 MEN1 (0.83) 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