SCHEMBL8057429

SCHEMBL8057429

COc1cc2[nH]c(=O)c3nn[nH]c3c(=O)c2cc1OC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.41
KDM4E B2RXH2 5/20 0.41
HPGD P15428 5/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
PDE3B Q13370 3/20 0.38
PDE3A Q14432 3/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
MPO P05164 2/20 0.36
XDH P47989 2/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 3/20 0.36

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
SCHEMBL8057885 1.00 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDSMN1; SMN2GRIN2D
SCHEMBL8067091 0.95 ULK1 (0.34) ALDH1A1KDM4EHPGDSMN1; SMN2GRIN2D
SCHEMBL1115295 0.92 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDSMN1; SMN2GRIN2D
SCHEMBL7824147 0.85 KDM4E (0.40) ALDH1A1KDM4EHPGDSMN1; SMN2GRIN2D
SCHEMBL7826672 0.79 PARP15 (0.41) ALDH1A1KDM4EHPGDSMN1; SMN2PDE3B
SCHEMBL7824882 0.76 GRIN2D (0.44) ALDH1A1KDM4EHPGDGRIN2DGRIN3B
SCHEMBL8068038 0.74 CYP19A1 (0.48) ALDH1A1KDM4EHPGDSMN1; SMN2GRIN2D
SCHEMBL7826292 0.74 KDM4E (0.47) ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A
SCHEMBL7829950 0.74 DYRK1A (0.53) ALDH1A1KDM4EHPGDSMN1; SMN2GAA
SCHEMBL7828142 0.72 TBK1 (0.47) KDM4EGRIN2DGRIN3BGRIN1GRIN2A

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