SCHEMBL8066743

SCHEMBL8066743

Cc1cc(C)c2[nH]c(=O)c3nn[nH]c3c(=O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.46
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PARP1 P09874 6/20 0.42
MAPT P10636 1/20 0.38
STAT3 P40763 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
CHEK1 O14757 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 1/20 0.33
STAT1 P42224 1/20 0.33
TYMS P04818 1/20 0.33

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
SCHEMBL7826781 0.79 CHEK1 (0.52) PARP1MAPTCHEK1SMN1; SMN2DAO
SCHEMBL7824882 0.79 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7816523 0.78 CHEK1 (0.51) HSD17B10MAPTCHEK1SMN1; SMN2DAO
SCHEMBL17950545 0.76 PARP1 (0.54) ABCB1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7827947 0.75 PTGES (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8067979 0.74 DAO (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7824147 0.73 KDM4E (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8068038 0.72 CYP19A1 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1115295 0.69 ALDH1A1 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7816221 0.68 PARP1 (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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