SCHEMBL8720900

SCHEMBL8720900

CC(=NN)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
MAPT P10636 4/20 0.54
WDR5 P61964 1/20 0.48
ALDH1A1 P00352 3/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
GRIN2B Q13224 1/20 0.43
HSD17B10 Q99714 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.41
CYP3A4 P08684 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MMP3 P08254 1/20 0.41
BCL2L1 Q07817 1/20 0.41
CTDSP1 Q9GZU7 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
SCHEMBL4149626 1.00 SMN1; SMN2 (0.54) SMN1; SMN2MAPTWDR5ALDH1A1POLB
SCHEMBL4041540 0.86 LMNA (0.50) SMN1; SMN2MAPTALDH1A1POLBL3MBTL1
SCHEMBL3655561 0.86 LMNA (0.50) SMN1; SMN2MAPTALDH1A1POLBL3MBTL1
SCHEMBL1005102 0.86 LMNA (0.50) SMN1; SMN2MAPTALDH1A1POLBL3MBTL1
SCHEMBL10150702 0.80 SMN1; SMN2 (0.56) SMN1; SMN2MAPTWDR5ALDH1A1POLB
SCHEMBL4316450 0.80 SMN1; SMN2 (0.56) SMN1; SMN2MAPTWDR5ALDH1A1POLB
SCHEMBL3368876 0.80 SMN1; SMN2 (0.56) SMN1; SMN2MAPTWDR5ALDH1A1POLB
SCHEMBL16437840 0.75 MAPT (0.56) SMN1; SMN2MAPTALDH1A1POLBNPC1
SCHEMBL15053148 0.75 CYP19A1 (0.50) SMN1; SMN2MAPTALDH1A1POLBL3MBTL1
SCHEMBL2067685 0.75 FURIN (0.44) 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
EP-0745154-B1 MULTICOMPONENT SYSTEM FOR MODIFYING, DECOMPOSING OR BLEACHING LIGNIN, LIGNIN-CONTAINING MATERIALS OR SIMILAR SUBSTANCES AND METHOD OF USING THIS SYSTEM LIGNOZYM GMBH (DE) 1998-09-16 EP claimed