SCHEMBL7219790

SCHEMBL7219790

CC(=O)OC(CC(C)C)c1nc2cnc3ccccc3c2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.36
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
GRN P28799 1/20 0.36
SORT1 Q99523 1/20 0.36
ELANE P08246 4/20 0.36
AAK1 Q2M2I8 2/20 0.36
MMP1 P03956 2/20 0.34
MMP3 P08254 2/20 0.34
MMP7 P09237 2/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
G6PD P11413 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL6723519 0.88 NPC1 (0.39) TAAR1KDM5AKDM4CKDM5BGRN
SCHEMBL6723888 0.88 CYP1A2 (0.37) ELANELMNAPKM
SCHEMBL6734722 0.86 ALDH1A1 (0.43) ELANELMNASMN1; SMN2
SCHEMBL6722283 0.86 DUSP10 (0.34)
SCHEMBL8573439 0.83 TAAR1 (0.39) TAAR1GRNSORT1ELANEAAK1
SCHEMBL8431909 0.80 ADORA3 (0.38) KDM5AKDM4CKDM5BELANELMNA
SCHEMBL14643309 0.76 MLKL (0.41) TAAR1AAK1KMT2AMEN1
SCHEMBL26687450 0.74 GRN (0.37) GRNSORT1MMP1MMP3MMP7
SCHEMBL7226167 0.73 AAK1 (0.38) GRNSORT1ELANEAAK1
SCHEMBL9383971 0.72 MEN1 (0.43) ELANEMMP1KMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6608201-B2 Amidation of a 2-halo-3,4-diaminoquinoline with an acid chloride; dehalogenation, amination with ammonia; cyclization 3M INNOVATIVE PROPERTIES COMPANY 2003-08-19 US disclosed
US-5977366-A 1-substituted, 2-substituted 1H-imidazo[4,5-c] quinolin-4-amines 3M INNOVATIVE PROPERTIES COMPANY (US) 1999-11-02 US disclosed
EP-0872478-A2 Intermediates for the preparation of 1-substituted, 2-substituted 1H-imidazo[4,5-c]quinolin-4-amines MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-10-21 EP disclosed
US-5605899-A VIRICIDES, BIOSYNTHESIS OF INTERFERONS, ANTITUMOR AGENTS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-02-25 US disclosed
US-5389640-A Viricides, antitumor agents MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-02-14 US disclosed