SCHEMBL7682228

SCHEMBL7682228

CCOC(=O)c1cccnc1OC1=COC(Cc2ccccc2)O1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.52
KMT2A Q03164 1/20 0.45
HTT P42858 2/20 0.43
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPK1 P28482 2/20 0.42
HPGD P15428 1/20 0.42
PPIA P62937 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 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
SCHEMBL5359874 0.87 MAPK8 (0.43) L3MBTL1ALDH1A1TDP1SMN1; SMN2
SCHEMBL6612476 0.86 CYP1A2 (0.40) L3MBTL1KMT2AALDH1A1MAPK1LMNA
SCHEMBL6485396 0.81 CDC7 (0.39) KMT2AALDH1A1MAPK1HPGDLMNA
SCHEMBL5364869 0.80 MAPK8 (0.52) KMT2AALDH1A1HPGDLMNA
SCHEMBL20831533 0.75 TDP1 (0.72) L3MBTL1HTTALDH1A1TDP1MAPK1
SCHEMBL6611902 0.74 GPBAR1 (0.34) KMT2A
SCHEMBL5388420 0.74 MAPK8 (0.40) L3MBTL1HTTTSHR
SCHEMBL5361994 0.74 MAPK8 (0.50) KMT2AHPGDLMNAMAPTSMN1; SMN2
SCHEMBL7530296 0.74 MAPK8 (0.49) HPGDLMNASMN1; SMN2
SCHEMBL5357847 0.74 PTGER4 (0.38) TDP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380218-B1 FOR THERAPY OF RESPIRATORY, ALLERGIC, AND INFLAMMATORY DISORDERS COMPRISING ASTHMA, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ACUTE RESPIRATORY DISEASE SYNDROME, PULMONARY HYPERSENSITIVITY, AND ALLERGIC RHINITIS IN A MAMMAL PFIZER INC 2002-04-30 US disclosed