SCHEMBL9538342

SCHEMBL9538342

CCn1c2ccccc2c2cc3cccc(N(C)C(C)(CO)COS(C)(=O)=O)c3cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HPGD P15428 2/20 0.37
HTT P42858 2/20 0.37
PER2 O15055 1/20 0.37
CRY1 Q16526 1/20 0.37
CRY2 Q49AN0 1/20 0.37
PTGER4 P35408 9/20 0.36
NPY5R Q15761 2/20 0.36
LMNA P02545 5/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 4/20 0.35
RORC P51449 1/20 0.35

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
SCHEMBL9536376 0.87 KDM4E (0.41) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL9538092 0.83 PER2 (0.35) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL9538345 0.78 RORC (0.38) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL9538335 0.71 SLC2A1 (0.46) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL9537180 0.70 RORC (0.35) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL9537944 0.69 ALDH1A1 (0.38) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL9536368 0.68 MAPT (0.41) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL9538002 0.67 KDM4E (0.48) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL9779030 0.66 MAPT (0.53) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL11154440 0.65 MAPT (0.62) MAPTMEN1KMT2AALDH1A1NPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0182608-B1 POLYCYCLIC COMPOUNDS, THEIR PREPARATION AND FORMULATIONS CONTAINING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1993-03-03 EP disclosed
EP-0182608-A2 Polycyclic compounds, their preparation and formulations containing them THE WELLCOME FOUNDATION LIMITED (GB) 1986-05-28 EP disclosed