SCHEMBL22452733

SCHEMBL22452733

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.53
AKR1C3 P42330 9/20 0.49
AKR1C2 P52895 9/20 0.49
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
MPO P05164 1/20 0.43
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
GAK O14976 1/20 0.41
KCNK2 O95069 1/20 0.41

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
SCHEMBL22452457 0.94 MEN1 (0.52) DHODHAKR1C3AKR1C2MEN1LMNA
SCHEMBL22452960 0.93 DHODH (0.45) DHODHAKR1C3AKR1C2MEN1LMNA
SCHEMBL22452867 0.91 MEN1 (0.49) DHODHAKR1C3AKR1C2MEN1LMNA
SCHEMBL22452874 0.89 DHODH (0.54) DHODHAKR1C3AKR1C2MEN1LMNA
SCHEMBL22452720 0.88 MEN1 (0.60) DHODHAKR1C3AKR1C2MEN1LMNA
SCHEMBL22453258 0.87 MEN1 (0.49) DHODHAKR1C3AKR1C2MEN1LMNA
SCHEMBL22453181 0.87 TUBB4A (0.45) DHODHAKR1C3AKR1C2MEN1LMNA
SCHEMBL22452913 0.84 LIPE (0.44) DHODHMEN1LMNAKMT2APOLB
SCHEMBL22452865 0.82 DHODH (0.49) DHODHAKR1C3AKR1C2MEN1LMNA
SCHEMBL22452887 0.80 AKR1C3 (0.48) DHODHAKR1C3AKR1C2MEN1LMNA

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