SCHEMBL8073330

SCHEMBL8073330

O=C(CCc1ccc2c(=O)c3[nH]nnc3c(=O)[nH]c2c1)NCc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
ALOX15 P16050 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
POLB P06746 3/20 0.48
GLA P06280 2/20 0.48
MAPT P10636 1/20 0.48
GAA P10253 3/20 0.45
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 3/20 0.41
SPR P35270 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RAB9A P51151 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
MET P08581 1/20 0.40

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
SCHEMBL8057842 0.84 KDM4E (0.35) GLAMAPTGAAKMT2AMEN1
SCHEMBL8068940 0.84 KMT2A (0.51) HPGDTDP1POLBGLAMAPT
SCHEMBL7827855 0.80 ALDH1A1 (0.50) HPGDTDP1POLBGLAMAPT
SCHEMBL7827848 0.80 ALDH1A1 (0.50) HPGDTDP1POLBGLAMAPT
Trifluoroacetic Acid SCHEMBL8068110 0.80 MEN1 (0.47) HPGDTDP1POLBGLAMAPT
SCHEMBL7816910 0.78 ALDH1A1 (0.39) HPGDMAPTGAAKMT2AMEN1
SCHEMBL7822908 0.78 KDM4E (0.38) HPGDALOX15POLBMAPTALDH1A1
SCHEMBL8069100 0.78 NPY5R (0.35) TDP1GAAHCAR2
SCHEMBL8068238 0.77 MAPT (0.33) MAPTKMT2AMEN1HSD17B10ADORA2B
SCHEMBL7831864 0.77 KDM4E (0.40) HPGDGAAALDH1A1SMN1; SMN2KDM4E

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