SCHEMBL6969768

SCHEMBL6969768

Nc1ccc(C(CC=O)c2ccc(N3CCOCC3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.42
ALDH1A1 P00352 7/20 0.42
GAA P10253 5/20 0.42
KDM4E B2RXH2 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
ALOX15 P16050 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALOX12 P18054 1/20 0.42
PIK3CA P42336 2/20 0.41
PIK3R1 P27986 1/20 0.41
MTOR P42345 1/20 0.41
LMNA P02545 4/20 0.41
LGMN Q99538 1/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
PRKDC P78527 1/20 0.40
KMT2A Q03164 4/20 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
SCHEMBL6975910 0.80 MAPT (0.45) MAPTALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL20631 0.78 MAPT (0.61) MAPTALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL20631313 0.76 LMNA (0.61) MAPTALDH1A1GAAKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL16209945 0.76 MAPT (0.65) MAPTALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL7738762 0.73 ADRA2A (0.59) ADRA2C
SCHEMBL28298439 0.72 PIK3CD (0.41) MAPTALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL14320289 0.72 PIK3R1 (0.59) MAPTALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL6383636 0.72 ALDH1A1 (0.50) MAPTALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL6962007 0.72 SERPINH1 (0.41) MAPTALDH1A1MAPK1TDP1LMNA
SCHEMBL4689823 0.72 ALDH1A1 (0.52) MAPTALDH1A1GAAKDM4ESMN1; SMN2

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-1339694-A1 SUBSTITUTED 2-PHENYLAMINOIMIDAZOLINE PHENYL KETONE DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-09-03 EP disclosed
WO-2002040453-A1 SUBSTITUTED 2-PHENYLAMINOIMIDAZOLINE PHENYL KETONE DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-05-23 WO disclosed