SCHEMBL7740439

SCHEMBL7740439

CCNc1nc(Cc2ccccc2)n(OC)c2ncnc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.39
PDE10A Q9Y233 1/20 0.34
PGK1 P00558 3/20 0.34
HTR2B P41595 1/20 0.34
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
NR2F2 P24468 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EGFR P00533 3/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
HTT P42858 1/20 0.32
APP P05067 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL7740434 0.74 PGK1 (0.40) PGK1LMNAMAPTMEN1NPC1
SCHEMBL1387903 0.69 ALDH1A1 (0.43) SMN1; SMN2HTTALDH1A1TMIGD3ADORA2A
SCHEMBL7739866 0.67 KDM4E (0.34) KDM4E
SCHEMBL7740436 0.67 ENPP1 (0.37) ENPP1PGK1HTR2BSMN1; SMN2HTT
SCHEMBL1388236 0.60 PDE4A (0.52) SMN1; SMN2HTTALDH1A1ADORA2A
SCHEMBL7998657 0.60 CDK1 (0.59) LMNAMAPTMEN1NR2F2RAB9A
Hydrochloric Acid SCHEMBL7326513 0.59 PDE4A (0.51) SMN1; SMN2HTTALDH1A1ADORA2A
SCHEMBL1388188 0.57 ADORA2A (0.39) LMNAMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL8978330 0.56 YTHDC1 (0.41) KMT2ASMN1; SMN2KDM4EHPGDALDH1A1
SCHEMBL1388038 0.56 ADORA2A (0.41) LMNAKMT2AKDM4EHPGDALDH1A1

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