SCHEMBL5547469

SCHEMBL5547469

Clc1cccc(NNC2CCCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.60
ALDH1A1 P00352 4/20 0.60
MAPT P10636 4/20 0.60
MAPK1 P28482 1/20 0.60
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
EPHX2 P34913 4/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
EPHX1 P07099 2/20 0.55
TSHR P16473 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.47
CTSV O60911 1/20 0.46
PLAT P00750 1/20 0.46
CTSL P07711 1/20 0.46
CTSH P09668 1/20 0.46

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
SCHEMBL5550812 0.98 LMNA (0.62) LMNAALDH1A1MAPTMAPK1MEN1
SCHEMBL7793295 0.81 LMNA (0.58) LMNAALDH1A1MAPTMAPK1MEN1
SCHEMBL3477718 0.80 EPHX2 (0.60) LMNAALDH1A1MAPTMAPK1MEN1
SCHEMBL5550113 0.79 NPC1 (0.55) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL18880248 0.78 TDP1 (0.50) LMNAALDH1A1MAPTMAPK1MEN1
SCHEMBL24313259 0.78 LMNA (0.54) LMNAALDH1A1MAPTMAPK1MEN1
SCHEMBL28645971 0.77 NPC1 (0.57) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL20892706 0.77 SMN1; SMN2 (0.52) LMNAALDH1A1MAPTMAPK1MEN1
SCHEMBL22367012 0.77 SMN1; SMN2 (0.52) LMNAALDH1A1MAPTMAPK1MEN1
SCHEMBL22732504 0.77 SMN1; SMN2 (0.52) LMNAALDH1A1MAPTMAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002000649-A9 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2007-09-20 WO disclosed
EP-1299381-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS AstraZeneca AB (SE) 2003-04-09 EP disclosed
WO-2002000649-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2002-01-03 WO disclosed