SCHEMBL7740436

SCHEMBL7740436

CCNc1ncn(OC)c2nc(Cc3ccccc3)nc1-2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 1/20 0.37
PDE4A P27815 3/20 0.34
PDE4B Q07343 3/20 0.34
PDE4C Q08493 3/20 0.34
PDE4D Q08499 3/20 0.34
TDP2 O95551 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
HTR2B P41595 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CHRM3 P20309 1/20 0.33
PDE2A O00408 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL7330002 0.73 NR1I2 (0.41) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
Hydrochloric Acid SCHEMBL7865197 0.69 ALDH1A1 (0.37) NR1H2NR1H3ALDH1A1PDE2ASMN1; SMN2
SCHEMBL7740439 0.67 ENPP1 (0.39) ENPP1HTR2BALDH1A1SMN1; SMN2PGK1
SCHEMBL1388063 0.64 CTSL (0.42) HTR2BHTT
SCHEMBL7379502 0.64
Hydrochloric Acid SCHEMBL7030023 0.64 CTSL (0.41) HTR2BHTT
SCHEMBL16147214 0.63 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DHTR2B
SCHEMBL16147212 0.63 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DHTR2B
SCHEMBL1387903 0.63 ALDH1A1 (0.43) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL8872008 0.60 SMN1; SMN2 (0.61) ALDH1A1PDE2ASMN1; SMN2PRNPRXFP1

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