SCHEMBL7378595

SCHEMBL7378595

CCCn1c(=S)[nH]c(=O)c2[nH]c(C3CC3)nc21

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 10/20 0.69
ADORA2A P29274 5/20 0.67
ADORA2B P29275 4/20 0.67
MEN1 O00255 1/20 0.60
GMNN O75496 1/20 0.60
LMNA P02545 1/20 0.60
CYP1A2 P05177 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
TSHR P16473 1/20 0.60
PMP22 Q01453 1/20 0.60
KMT2A Q03164 1/20 0.60
HIF1A Q16665 1/20 0.60

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
SCHEMBL563337 0.87 ADORA1 (0.62) ADORA1ADORA2AADORA2BMEN1GMNN
SCHEMBL7020242 0.86 ADORA1 (0.61) ADORA1ADORA2AADORA2BMEN1GMNN
SCHEMBL5227560 0.86 ADORA1 (0.90) ADORA1ADORA2AADORA2BMEN1GMNN
SCHEMBL7427017 0.84 ADORA1 (0.78) ADORA1ADORA2AADORA2BMEN1GMNN
SCHEMBL9645551 0.82 ADORA1 (0.95) ADORA1ADORA2AADORA2BMEN1GMNN
SCHEMBL7425220 0.82 ADORA1 (0.69) ADORA1ADORA2AADORA2BMEN1GMNN
SCHEMBL8118476 0.82 ADORA1 (1.00) ADORA1ADORA2AADORA2BMEN1GMNN
SCHEMBL5229734 0.81 ADORA2B (1.00) ADORA1ADORA2AADORA2BMEN1GMNN
SCHEMBL4621677 0.80 ADORA1 (1.00) ADORA1ADORA2AADORA2BMEN1GMNN
SCHEMBL8002284 0.79 ADORA1 (0.52) ADORA1ADORA2AADORA2BMEN1GMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1169321-A4 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY EURO CELTIQUE SA (LU) 2002-10-30 EP disclosed
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
EP-1169321-A2 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY Euro-Celtique S.A. (LU) 2002-01-09 EP 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
WO-2000059449-A2 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY EURO-CELTIQUE S.A. (LU) 2000-10-12 WO disclosed