SCHEMBL28828771

SCHEMBL28828771

COc1ccc(CN(C)N)cc1.COc1ccccc1-c1cc(C(=O)O)c(C)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
HPGD P15428 5/20 0.48
HSD17B10 Q99714 3/20 0.48
KDM4E B2RXH2 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
MAPT P10636 5/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 3/20 0.44
TSHR P16473 2/20 0.44
APEX1 P27695 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.44
PTGER4 P35408 1/20 0.44
PIN1 Q13526 1/20 0.43
SLC9A1 P19634 1/20 0.41
ACHE P22303 1/20 0.41
CYP1A2 P05177 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
SCHEMBL10049177 0.83 MAPT (0.49) ALDH1A1HPGDHSD17B10KDM4ETDP1
SCHEMBL3436409 0.82 ALDH1A1 (0.62) ALDH1A1HPGDHSD17B10KDM4ETDP1
SCHEMBL10517126 0.73 ALDH1A1 (0.52) ALDH1A1HPGDHSD17B10KDM4ETDP1
SCHEMBL3107758 0.72 ALDH1A1 (0.51) ALDH1A1HPGDHSD17B10KDM4ETDP1
SCHEMBL3436395 0.71 ALOX5 (0.51) ALDH1A1HPGDHSD17B10KDM4ETDP1
SCHEMBL3973924 0.70 ALDH1A1 (0.69) ALDH1A1HPGDHSD17B10KDM4ETDP1
SCHEMBL10049173 0.68 AOC3 (0.66) ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL5842967 0.67 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10KDM4ETDP1
SCHEMBL28665194 0.67 ALDH1A1 (0.52) ALDH1A1HPGDHSD17B10KDM4ETDP1
SCHEMBL3362186 0.67 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102985405-B Heterocyclic compounds and p27Kip1Decomposition inhibitor ASKA制药株式会社 2016-07-06 CN disclosed