SCHEMBL22453347

SCHEMBL22453347

O=C(Nc1ccc(C2CCCCC2)cc1Cl)c1cccc(Nc2ccc(OC3CC3)cc2C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 3/20 0.58
DHODH Q02127 5/20 0.54
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
GFER P55789 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SCN9A Q15858 1/20 0.42
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
AKR1C3 P42330 3/20 0.41
AKR1C2 P52895 3/20 0.41
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
F2 P00734 1/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 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
SCHEMBL22452642 0.91 SERPINE1 (0.47) SERPINE1DHODHMEN1KMT2ASMN1; SMN2
SCHEMBL22453382 0.91 SERPINE1 (0.58) SERPINE1DHODHMEN1KMT2ALMNA
SCHEMBL22453063 0.88 SERPINE1 (0.60) SERPINE1DHODHMEN1KMT2AALDH1A1
SCHEMBL22452796 0.84 SERPINE1 (0.48) SERPINE1MEN1KMT2ALMNAHPGD
SCHEMBL22452646 0.82 SERPINE1 (0.50) SERPINE1MEN1KMT2ALMNAHPGD
SCHEMBL22453286 0.81 SERPINE1 (0.56) SERPINE1DHODHMEN1KMT2ALMNA
SCHEMBL22452640 0.76 SERPINE1 (0.49) SERPINE1MEN1KMT2ASCN9AALDH1A1
SCHEMBL22453374 0.76 SMN1; SMN2 (0.66) SERPINE1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL22453284 0.75 SIRT2 (0.60) SERPINE1MEN1KMT2AALDH1A1POLB
SCHEMBL419189 0.74 SERPINE1 (1.00) SERPINE1AKR1C3AKR1C2AKR1C4AKR1C1

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