SCHEMBL10691837

SCHEMBL10691837

Nc1cccc2c1C(=O)N(C1CCCCC1)C2=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 3/20 0.70
HTR2B P41595 2/20 0.70
HTR3E A5X5Y0 1/20 0.70
HTR3B O95264 1/20 0.70
HTR3A P46098 1/20 0.70
HTR3D Q70Z44 1/20 0.70
HTR3C Q8WXA8 1/20 0.70
HTR2A P28223 1/20 0.62
SIGMAR1 Q99720 1/20 0.62
DDB1 Q16531 2/20 0.55
CRBN Q96SW2 2/20 0.55
TNF P01375 1/20 0.55
IL1B P01584 1/20 0.55
TBXA2R P21731 1/20 0.55
IKZF1 Q13422 1/20 0.55
IKZF3 Q9UKT9 1/20 0.55
ALDH1A1 P00352 3/20 0.54
PABPC1 P11940 3/20 0.48
HSPA1A P0DMV8 1/20 0.45
MEN1 O00255 2/20 0.44

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
SCHEMBL11563734 0.83 ALDH1A1 (0.52) TMEM97HTR2BHTR3EHTR3BHTR3A
SCHEMBL3020106 0.83 ALDH1A1 (0.52) TMEM97HTR2BHTR3EHTR3BHTR3A
SCHEMBL23967443 0.81 ALDH1A1 (0.65) DDB1CRBNIKZF3ALDH1A1MEN1
SCHEMBL2653818 0.81 ALDH1A1 (0.65) DDB1CRBNIKZF3ALDH1A1MEN1
SCHEMBL30987468 0.81 ALDH1A1 (0.65) DDB1CRBNIKZF3ALDH1A1MEN1
SCHEMBL27552579 0.80 DDB1 (0.59) TMEM97HTR2BHTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL31259831 0.79 HTR2B (0.72) TMEM97HTR2BHTR3EHTR3BHTR3A
SCHEMBL7646060 0.79 KEAP1 (0.57) TMEM97HTR2BHTR3EHTR3BHTR3A
SCHEMBL31259830 0.79 TMEM97 (0.74) TMEM97HTR2BHTR3EHTR3BHTR3A
SCHEMBL18935574 0.79 ALDH1A1 (0.62) TMEM97HTR2BHTR3EHTR3BHTR3A

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
US-20100233415-A1 OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND MITSUI CHEMICALS, INC. (JP) 2010-09-16 US disclosed
US-20100233415-A1 OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND MITSUI CHEMICALS, INC. (JP) 2010-09-16 US disclosed
US-4754024-A Fibre-reactive azo dyes containing vinylsulfonyl or analogous groups CIBA-GEIGY CORPORATION 1988-06-28 US disclosed