SCHEMBL11624906

SCHEMBL11624906

CCOc1ccccc1-c1ncc(C(N)=O)c(=O)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GUSB P08236 1/20 0.54
PDE5A O76074 13/20 0.48
PDE1A P54750 5/20 0.48
PDE1B Q01064 5/20 0.48
PDE1C Q14123 5/20 0.48
PDE10A Q9Y233 1/20 0.46
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL9297225 0.90 PDE5A (0.55) PDE5APDE1APDE1BPDE1CPDE10A
SCHEMBL11626599 0.89 MEN1 (0.51) PDE5APDE1APDE1BPDE1CPDE10A
SCHEMBL7940546 0.89 GUSB (0.58) GUSBPDE5APDE1APDE1BPDE1C
SCHEMBL11624834 0.87 PARP1 (0.56) GUSBKDM4EALDH1A1LMNAHSD17B10
SCHEMBL11624915 0.87 PDE5A (0.46) GUSBPDE5A
SCHEMBL11707366 0.86 GUSB (0.53) GUSBPDE5APDE1APDE1BPDE1C
SCHEMBL11628793 0.86 KDM4E (0.57) GUSBPDE5APDE1APDE1BPDE1C
SCHEMBL11711295 0.86 GUSB (0.53) GUSBPDE5APDE1APDE1BPDE1C
Potassium Ion SCHEMBL11709053 0.86 GUSB (0.53) GUSBPDE5APDE1APDE1BPDE1C
SCHEMBL11629646 0.85 IDO1 (0.47) PDE5ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4082751-A ANTIALLERGENS BRISTOL-MYERS COMPANY (US) 1978-04-04 US disclosed