SCHEMBL6201652

SCHEMBL6201652

O=C(CC(c1ccc(Cl)cc1)c1cnccn1)c1ccco1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
POLB P06746 3/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 3/20 0.43
ALOX15 P16050 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 1/20 0.43
ALOX12 P18054 1/20 0.43
NR4A1 P22736 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
MCL1 Q07820 1/20 0.43
ESR2 Q92731 1/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 3/20 0.42
TSHR P16473 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
FNTA P49354 1/20 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
SCHEMBL6201493 0.80 LMNA (0.46) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL6203371 0.79 SMN1; SMN2 (0.40) ALDH1A1POLBL3MBTL1MAPK1MAPT
SCHEMBL6202065 0.77 POLB (0.42) POLBKMT2ANPC1TP53RAB9A
SCHEMBL6201649 0.76 ALDH1A1 (0.43) ALDH1A1POLBHPGDHSD17B10ALOX15
SCHEMBL6075034 0.66 HSD17B10 (0.63) ALDH1A1POLBHPGDHSD17B10ALOX15
SCHEMBL7363506 0.66 TBXAS1 (0.49) HPGDHTTLMNA
SCHEMBL28804493 0.66 LMNA (0.41) L3MBTL1MEN1KMT2ATSHRLMNA
SCHEMBL6075198 0.65 POLB (0.51) ALDH1A1POLBHPGDHSD17B10ALOX15
SCHEMBL6201073 0.65 CYP19A1 (0.53) ALDH1A1POLBHPGDMEN1HTT
SCHEMBL14073806 0.65 ALDH1A1 (0.56) ALDH1A1POLBHPGDHSD17B10ALOX15

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-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed