SCHEMBL5589974

SCHEMBL5589974

c1ccc(-c2nnc(-c3ccncc3)nc2-c2ccncc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 1.00
MAPT P10636 5/20 0.66
ALDH1A1 P00352 3/20 0.66
NOTUM Q6P988 1/20 0.52
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
GAA P10253 2/20 0.50
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 3/20 0.47
HSD17B10 Q99714 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
USP2 O75604 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL5590302 1.00 SMN1; SMN2 (1.00) SMN1; SMN2MAPTALDH1A1NOTUMNPC1
SCHEMBL5592678 1.00 SMN1; SMN2 (1.00) SMN1; SMN2MAPTALDH1A1NOTUMNPC1
SCHEMBL5590317 1.00 SMN1; SMN2 (1.00) SMN1; SMN2MAPTALDH1A1NOTUMNPC1
SCHEMBL5590226 1.00 SMN1; SMN2 (1.00) SMN1; SMN2MAPTALDH1A1NOTUMNPC1
SCHEMBL5590751 1.00 SMN1; SMN2 (1.00) SMN1; SMN2MAPTALDH1A1NOTUMNPC1
SCHEMBL5590394 0.92 SMN1; SMN2 (0.85) SMN1; SMN2MAPTALDH1A1NOTUMNPC1
SCHEMBL3445210 0.90 SMN1; SMN2 (0.81) SMN1; SMN2MAPTALDH1A1NPC1RAB9A
SCHEMBL32668864 0.88 ALDH1A1 (0.81) SMN1; SMN2MAPTALDH1A1NPC1RAB9A
SCHEMBL29556760 0.88 ALDH1A1 (0.81) SMN1; SMN2MAPTALDH1A1NPC1RAB9A
SCHEMBL2849974 0.88 ALDH1A1 (0.81) SMN1; SMN2MAPTALDH1A1NPC1RAB9A

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
US-20070020519-A1 Anode active material, manufacturing method thereof and lithium battery using the anode active material SAMSUNG SDI CO., LTD. (KR) 2007-01-25 US disclosed