SCHEMBL15230609

SCHEMBL15230609

CCCCOC(=O)N(C(=O)OCCCC)c1cc(C)nn1-c1cccc2c[n+]([O-])ccc12

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
MALT1 Q9UDY8 1/20 0.33
ALDH1A1 P00352 2/20 0.32
GLA P06280 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MTNR1A P48039 2/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ATM Q13315 1/20 0.31
BCHE P06276 1/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL15230900 0.83 LMNA (0.37) MAPTLMNAMALT1ALDH1A1GAA
SCHEMBL15230495 0.68 PDE10A (0.41) MAPTLMNAMALT1ALDH1A1KMT2A
SCHEMBL6946111 0.58 SMN1; SMN2 (0.44) MAPTLMNAALDH1A1KMT2AL3MBTL1
SCHEMBL19477824 0.57 TSHR (0.41) MAPTLMNAALDH1A1KMT2AL3MBTL1
SCHEMBL11650241 0.57 TSHR (0.50) LMNAALDH1A1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL11650240 0.56 ALDH1A1 (0.47) MAPTLMNAALDH1A1KMT2AGAA
SCHEMBL16735359 0.56 MAPT (0.49) MAPTLMNAALDH1A1KMT2AHPGD
SCHEMBL17665629 0.55 LMNA (0.55) MAPTLMNAALDH1A1KMT2AGAA
SCHEMBL8728841 0.54 LMNA (0.53) MAPTLMNAALDH1A1KMT2AL3MBTL1
Dibutyl Phthalate SCHEMBL8167118 0.54 TSHR (0.76) LMNAALDH1A1L3MBTL1SMN1; SMN2ATM

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-2820006-A1 PYRAZOL-1-YL BENZENE SULFONAMIDES AS CCR9 ANTAGONISTS ChemoCentryx, Inc. (US) 2015-01-07 EP disclosed
WO-2013130811-A1 PYRAZOL-1-YL BENZENE SULFONAMIDES AS CCR9 ANTAGONISTS CHEMOCENTRYX, INC. (US) 2013-09-06 WO disclosed