SCHEMBL7739708

SCHEMBL7739708

CCn1c(C)ncc2ncnc1-2

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
THRB P10828 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
ADORA3 P0DMS8 2/20 0.32
ADORA2A P29274 2/20 0.32
ADORA2B P29275 2/20 0.32
ADORA1 P30542 2/20 0.32
CDK2 P24941 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL1184137 0.68
SCHEMBL10235421 0.68 MAPK1 (0.33) LMNAALDH1A1THRBTSHRMAPK1
SCHEMBL48370 0.67 LTA4H (0.46) ADORA2AADORA1
SCHEMBL10183093 0.65 KDM4E (0.33) LMNAALDH1A1THRBTSHRMAPK1
SCHEMBL19497078 0.64 KDM4E (0.37) LMNAALDH1A1THRBTSHRMAPK1
SCHEMBL19497168 0.63 KDM4E (0.37) LMNAALDH1A1THRBTSHRMAPK1
SCHEMBL19497169 0.63 CDK2 (0.40) LMNAALDH1A1THRBTSHRMAPK1
SCHEMBL19497079 0.63 ALDH1A1 (0.33) LMNAALDH1A1THRBTSHRMAPK1
SCHEMBL10281382 0.63 TLR7 (0.37) LMNAALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL19419968 0.62 KDM4E (0.47) LMNAALDH1A1TSHRADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6413975-B1 DISEASES WITH HIGH LEVELS OF INFLAMMATORY CYTOKINES; ASTHMA; ALLERGIES; INFLAMMATION; DEPRESSION; ALZHEIMER'S DISEASE; VASCULAR AND MULTI-IN-FARCT DEMENTIA EURO-CELTIQUE, S.A. (LU) 2002-07-02 US disclosed
US-6319928-B1 ASTHMA, ALLERGIES, INFLAMMATION,DEPRESSION, DEMENTIA, ALZHEIMER'S DISEASE, VASCULAR AND MULTI-IN-FARCT DEMENTIA AND DISEASE CAUSED BY HUMAN IMMUNODEFICIENCY VIRUS TREATMENT; EFFICIENCY AND SELECTIVITY EURO-CELTIQUE, S.A. (LU) 2001-11-20 US disclosed
US-6294541-B1 ENZYME INHIBITORS USING PURINE COMPOUNDS AS ANTIHISTAMINES EURO-CELTIQUE S.A. (LU) 2001-09-25 US disclosed