SCHEMBL5134183

SCHEMBL5134183

Cc1ccc2c(c1)Nc1cc(C)c(N)cc1N2c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.43
KDM4E B2RXH2 7/20 0.43
HSD17B10 Q99714 2/20 0.43
GNG2 P59768 1/20 0.37
GNB1 P62873 1/20 0.37
MAPT P10636 6/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 2/20 0.36
GAA P10253 2/20 0.36
MCL1 Q07820 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CSNK1G1 Q9HCP0 1/20 0.33
MEN1 O00255 2/20 0.32
USP2 O75604 2/20 0.32
KMT2A Q03164 2/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
CACNA1B Q00975 1/20 0.32

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
Sulfuric Acid SCHEMBL4915014 0.93 KDM4E (0.41) ALDH1A1KDM4EHSD17B10GNG2GNB1
SCHEMBL863274 0.92 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10GNG2GNB1
SCHEMBL114129 0.91 KDM4E (0.43) ALDH1A1KDM4EHSD17B10GNG2GNB1
Hydrochloric Acid SCHEMBL30431952 0.90 KDM4E (0.42) ALDH1A1KDM4EHSD17B10GNG2GNB1
Hydrochloric Acid SCHEMBL27752560 0.90 KDM4E (0.42) ALDH1A1KDM4EHSD17B10GNG2GNB1
SCHEMBL29638503 0.87 ALDH1A1 (0.53) ALDH1A1KDM4EHSD17B10GNG2GNB1
Hydrochloric Acid SCHEMBL27752534 0.81 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10GNG2GNB1
SCHEMBL10048542 0.79 APAF1 (0.41) ALDH1A1KDM4EGNG2GNB1MAPT
SCHEMBL2849004 0.79 GAA (0.40) ALDH1A1KDM4EGNG2GNB1MAPT
SCHEMBL2979623 0.77 KDM4E (0.36) ALDH1A1KDM4EHSD17B10GNG2GNB1

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
EP-1861710-A4 SURFACES COATED WITH TARGET-INDUCED FLUORESCENT COMPOUNDS FOR DETECTION OF TARGET ELEMENTS UNIV NORTH DAKOTA (US) 2008-07-23 EP disclosed
EP-1861710-A2 SURFACES COATED WITH TARGET-INDUCED FLUORESCENT COMPOUNDS FOR DETECTION OF TARGET ELEMENTS University of North Dakota (US) 2007-12-05 EP disclosed
WO-2006094198-A2 SURFACES COATED WITH TARGET-INDUCED FLUORESCENT COMPOUNDS FOR DETECTION OF TARGET ELEMENTS UNIVERSITY OF NORTH DAKOTA (US) 2006-09-08 WO disclosed