SCHEMBL9388103

SCHEMBL9388103

CCCCOc1ccc(CCO)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
CYP3A4 P08684 3/20 0.44
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
NFKB1 P19838 3/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
THPO P40225 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
HIF1A Q16665 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK1 P28482 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43

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
SCHEMBL20195254 0.92 ACACB (0.42) MAPTMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL20195249 0.84 MAPT (0.50) MAPTMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL1843048 0.80 MEN1 (0.47) MAPTMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL13848403 0.79 KDM4E (0.41) MAPTCYP3A4L3MBTL1KDM4ESMN1; SMN2
SCHEMBL21391268 0.79 NPC1 (0.45) MAPTMEN1KMT2ACYP3A4KDM4E
SCHEMBL16889139 0.79 RAB9A (0.42) MAPTMEN1KMT2ACYP3A4L3MBTL1
SCHEMBL3229511 0.79 NNMT (0.44) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL9344173 0.78 MAPT (0.41) MAPTMEN1KMT2ACYP3A4L3MBTL1
SCHEMBL19405295 0.78 APP (0.40) MAPTMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL300799 0.77 PIK3CD (0.43) MAPTKMT2AALDH1A1L3MBTL1KDM4E

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
CN-1083811-A The pyridine oxyethyl group of quinoline and quinazoline, pyridine ethylamino and pyridine propyl derivatives DOWELANCO (US) 1994-03-16 CN disclosed
WO-1994004527-A1 PYRIDYLETHOXY-, PYRIDYLETHYLAMINO-, AND PYRIDYLPROPYL-DERIVATIVES OF QUINOLINE AND QUINAZOLINE AS INSECTICIDES AND FUNGICIDES DOWELANCO (US) 1994-03-03 WO disclosed