SCHEMBL6635124

SCHEMBL6635124

O=[N+]([O-])c1ccc(CCN2CCc3ccccc32)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 4/20 0.49
USP2 O75604 1/20 0.49
CDK4 P11802 1/20 0.49
ALOX15 P16050 1/20 0.49
CCND1 P24385 1/20 0.49
MAPT P10636 5/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
KDM4E B2RXH2 2/20 0.44
POLB P06746 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 1/20 0.42
PTK2B Q14289 1/20 0.42
ESR2 Q92731 1/20 0.42
TRPM5 Q9NZQ8 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ATM Q13315 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
SCHEMBL6644024 0.88 TRPM5 (0.45) MEN1KMT2AALDH1A1USP2CDK4
SCHEMBL6801884 0.79 ROCK1 (0.47) MEN1KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL6803901 0.79 ALDH1A1 (0.47) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL6645887 0.77 ALDH1A1 (0.50) MEN1KMT2AALDH1A1USP2CDK4
SCHEMBL6639906 0.77 MAPT (0.60) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL29374038 0.75 ALDH1A1 (0.62) MEN1KMT2AALDH1A1USP2CDK4
SCHEMBL12479916 0.75 ALDH1A1 (0.54) MEN1KMT2AALDH1A1USP2CDK4
SCHEMBL11358481 0.73 MAPT (0.55) MEN1KMT2AALDH1A1USP2CDK4
SCHEMBL15972100 0.71 ALDH1A1 (0.57) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL10233859 0.71 KCNJ1 (0.64) ALDH1A1MAPTL3MBTL1KDM4ETDP1

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-1383760-A1 BIARYLCARBOXAMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-28 EP disclosed
WO-2002090347-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-14 WO disclosed