SCHEMBL11706353

SCHEMBL11706353

CC(=O)c1ccc(N=[N])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.59
NOS3 P29474 2/20 0.59
MAPT P10636 5/20 0.57
RAB9A P51151 4/20 0.57
NPC1 O15118 3/20 0.57
MAPK1 P28482 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
STAT3 P40763 1/20 0.57
STAT1 P42224 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
KDM4E B2RXH2 1/20 0.52
CYP1A1 P04798 2/20 0.50
CYP1B1 Q16678 1/20 0.50
HPGD P15428 3/20 0.48
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B1 P14061 1/20 0.46
ALDH1A1 P00352 1/20 0.42
KCNJ1 P48048 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
SCHEMBL14336603 0.80 MAPT (0.83) NOS1NOS3MAPTRAB9ANPC1
SCHEMBL18806562 0.80 MAPT (0.83) NOS1NOS3MAPTRAB9ANPC1
SCHEMBL29042753 0.80 MAPT (0.83) NOS1NOS3MAPTRAB9ANPC1
SCHEMBL50646 0.79 MAPT (0.68) NOS1NOS3MAPTRAB9ANPC1
SCHEMBL7787732 0.78 TSHR (0.60) MAPTNPC1SMN1; SMN2TDP1KMT2A
SCHEMBL7048445 0.78 MAPT (0.63) NOS1NOS3MAPTRAB9ANPC1
SCHEMBL10223094 0.78 NOS3 (0.61) NOS1NOS3MAPTRAB9ANPC1
SCHEMBL11706363 0.76 NOS1 (0.59) NOS1NOS3MAPTRAB9ANPC1
SCHEMBL15435836 0.76 NOS1 (0.72) NOS1NOS3MAPTRAB9ANPC1
SCHEMBL14524471 0.74 MAPT (0.67) NOS1NOS3MAPTRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4011208-A 3-CYANO OR ACYL-4-ARYL-5-ARYLAZO-6-HYDROXYPYRIDONE-2 DYES SANDOZ LTD. (CH) 1977-03-08 US claimed
US-4011208-A 3-CYANO OR ACYL-4-ARYL-5-ARYLAZO-6-HYDROXYPYRIDONE-2 DYES SANDOZ LTD. (CH) 1977-03-08 US disclosed