SCHEMBL8069100

SCHEMBL8069100

O=C(CCc1ccc2c(=O)c3[nH]nnc3c(=O)[nH]c2c1)NNc1ccncc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.35
ROCK2 O75116 1/20 0.34
LMNA P02545 2/20 0.33
P2RX7 Q99572 5/20 0.33
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TBXAS1 P24557 1/20 0.32
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
HCAR2 Q8TDS4 1/20 0.30
TERT O14746 1/20 0.30

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
SCHEMBL7822908 0.80 KDM4E (0.38) LMNAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7831864 0.79 KDM4E (0.40) GAA
SCHEMBL8073330 0.78 HPGD (0.50) GAATDP1HCAR2
SCHEMBL7826505 0.75 PTGES (0.47)
SCHEMBL7815301 0.73 KDM4E (0.42) TDP1
SCHEMBL8068924 0.73 PARP1 (0.38) LMNATERT
SCHEMBL7825628 0.73 PTGES (0.46)
SCHEMBL8068238 0.73 MAPT (0.33) HCAR2TERT
SCHEMBL7816910 0.72 ALDH1A1 (0.39) LMNAGAA
SCHEMBL8057842 0.72 KDM4E (0.35) LMNAGAA

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-6093714-A AN ANTIALLERGENS FOR TREATMENT AND PREVENTION OF BRONCHIAL ASTHMA, ECZEMA, HIVES, ALLERGIC GASTROINTESTINAL TROUBLES, ALLERGIC RHINITIS, ALLERGIC CONJUNCTIVITIS MEIJI SEIKA KAISHA, LTD. (JP) 2000-07-25 US disclosed
EP-0834512-A1 TRICYCLIC BENZAZEPINE COMPOUNDS MEIJI SEIKA KAISHA LTD. (JP) 1998-04-08 EP disclosed