SCHEMBL4445208

SCHEMBL4445208

CCCc1nc2c(c(=O)[nH]c(=O)n2CCC)n1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.54
ADORA2A P29274 5/20 0.54
PDE4B Q07343 5/20 0.54
PDE4C Q08493 5/20 0.54
PDE4D Q08499 5/20 0.54
HPGD P15428 3/20 0.51
CYP2C9 P11712 1/20 0.51
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 2/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47
BLM P54132 1/20 0.47
PDE3A Q14432 1/20 0.47
RXFP1 Q9HBX9 2/20 0.47
NPC1 O15118 1/20 0.47
MITF O75030 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
PAX8 Q06710 1/20 0.47

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
SCHEMBL3227594 0.90 PDE4A (0.55) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL315739 0.86 HSD17B10 (0.56) HPGDCYP2C9KDM4EHSD17B10POLB
SCHEMBL3223903 0.79 PDE4A (0.55) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL19090458 0.79 ALDH1A1 (0.55) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL3232066 0.78 PDE4A (0.52) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL6944694 0.78 SMN1; SMN2 (0.56) HPGDCYP2C9HSD17B10POLBRAB9A
SCHEMBL4445212 0.77 KDM4E (0.51) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL3231032 0.76 PDE4A (0.50) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL5085665 0.75 MAPK1 (0.56) HPGDCYP2C9HSD17B10POLBRAB9A
SCHEMBL4461676 0.75 ADORA1 (0.49) PDE4AADORA2APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112088010-A Compositions and methods for treating vaginal dryness 宝洁公司 2020-12-15 CN disclosed
US-20090220968-A1 Methods and Apparatus for Near Field Irradiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-09-03 US disclosed
EP-1996320-A2 METHODS AND APPARATUS FOR NEAR FIELD IRRADIATION The President and Fellows of Harvard College (US) 2008-12-03 EP disclosed
WO-2007106402-A2 METHODS AND APPARATUS FOR NEAR FIELD IRRADIATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-09-20 WO disclosed