SCHEMBL10598787

SCHEMBL10598787

NC(=O)c1cc(N)ccc1NC(=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.66
CYP1A2 P05177 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
PDCD1 Q15116 1/20 0.57
CD274 Q9NZQ7 1/20 0.57
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
HDAC1 Q13547 4/20 0.54
HDAC3 O15379 2/20 0.54
HDAC2 Q92769 2/20 0.54
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HSD17B10 Q99714 1/20 0.54
PKM P14618 2/20 0.53
GRIK1 P39086 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
LTC4S Q16873 1/20 0.52
SIRT2 Q8IXJ6 2/20 0.51

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
SCHEMBL17599174 0.90 MAPT (0.54) MAPTCYP1A2CYP2C9CYP2C19PDCD1
SCHEMBL7752909 0.88 MAPT (0.68) MAPTCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL29226011 0.88 MAPT (0.61) MAPTCYP1A2CYP2C9CYP2C19PDCD1
SCHEMBL8478104 0.83 KDM4E (0.45) MAPTCYP1A2CYP2C9CYP2C19PDCD1
SCHEMBL11591501 0.82 HDAC1 (0.71) MAPTCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL786246 0.82 PDCD1 (0.81) MAPTPDCD1CD274MEN1KMT2A
SCHEMBL23258276 0.81 PDCD1 (0.74) CYP1A2CYP2C19PDCD1CD274MEN1
SCHEMBL8528829 0.81 MAPT (0.69) MAPTCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL29088261 0.81 MAPT (0.69) MAPTCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL3529060 0.81 MAPT (0.82) MAPTCYP1A2CYP2C9CYP2C19MEN1

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-0162806-B1 AZO COMPOUNDS CONTAINING AT LEAST ONE CARBON AMIDE GROUP CIBA-GEIGY AG (CH) 1989-01-25 EP disclosed
US-4737581-A PIGMENTING HIGH-MOLECULAR-WEIGHT COMPOUNDS; PRINTING INKS; LACQUERS COLORFASTNESS; REDS AND ORANGES CIBA-GEIGY CORPORATION (US) 1988-04-12 US disclosed
EP-0162806-A2 Azo compounds containing at least one carbon amide group CIBA-GEIGY AG (CH) 1985-11-27 EP disclosed