SCHEMBL8937183

SCHEMBL8937183

Cc1nc2c(=O)[nH]c(=O)n(CC(C)C)c2n1C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PDE1A P54750 3/20 0.42
PDE1B Q01064 3/20 0.42
PDE1C Q14123 3/20 0.42
PDE2A O00408 2/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 5/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 2/20 0.39
PDE5A O76074 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL7624092 0.84 KDM4E (0.42) KDM4ENPSR1PDE1APDE1BPDE1C
SCHEMBL4623478 0.83 KDM4E (0.38) KDM4ENPSR1PDE1APDE1BPDE1C
SCHEMBL1804901 0.82 KDM4E (0.41) KDM4ENPSR1PDE1APDE1BPDE1C
SCHEMBL2476718 0.81 MEN1 (0.45) KDM4ENPSR1PDE1APDE1BPDE1C
SCHEMBL8642882 0.74 ALDH1A1 (0.43) KDM4ENPSR1MEN1KMT2AALDH1A1
SCHEMBL5647 0.73 ADORA2A (0.43) KDM4ENPSR1PDE1APDE1BPDE1C
SCHEMBL9765951 0.72 ADORA2A (0.49) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL4796600 0.70 PDE4A (0.47) KDM4EPDE1APDE1BPDE1CPDE2A
SCHEMBL23797830 0.70 HTT (0.42) KDM4EPDE1APDE1BPDE1CPDE2A
SCHEMBL4623658 0.69 PDE4A (0.39) KDM4ENPSR1PDE1APDE1BPDE1C

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-5525329-A INCREASED SENSITIVITY TO ODORS THE JOHNS HOPKINS UNIVERSITY (US) 1996-06-11 US claimed