SCHEMBL8058873

SCHEMBL8058873

C=CCNc1nc(N)nc(NCc2ccccc2)n1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.59
GPR68 Q15743 5/20 0.55
ADORA2A P29274 1/20 0.50
HTR2B P41595 1/20 0.50
HTR1A P08908 1/20 0.49
APP P05067 2/20 0.49
GAA P10253 1/20 0.49
KCNH3 Q9ULD8 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
RAD52 P43351 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.45
UBE2N P61088 1/20 0.45
KMT2A Q03164 1/20 0.45
RCE1 Q9Y256 1/20 0.45

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
SCHEMBL6727019 0.87 NPSR1 (0.74) NPSR1GPR68ADORA2AHTR2BHTR1A
SCHEMBL3301514 0.83 NPSR1 (0.74) NPSR1GPR68ADORA2AHTR2BHTR1A
SCHEMBL2268712 0.83 POLB (0.46) GAASMN1; SMN2ALDH1A1MAPTKMT2A
Hydrochloric Acid SCHEMBL9247173 0.81 NPSR1 (0.72) NPSR1GPR68ADORA2AHTR2BHTR1A
SCHEMBL11664446 0.80 NPSR1 (0.66) NPSR1GPR68ADORA2AHTR2BHTR1A
SCHEMBL276285 0.79 GAA (0.46) GAAALDH1A1MAPTKMT2A
SCHEMBL14869402 0.79 NPSR1 (0.64) NPSR1GPR68ADORA2AHTR2BHTR1A
SCHEMBL29609599 0.79 NPSR1 (0.64) NPSR1GPR68ADORA2AHTR2BHTR1A
Phthalic Acid SCHEMBL29027367 0.78 CCNA2 (0.45) NPSR1KDM4EALDH1A1MAPTKMT2A
SCHEMBL3298289 0.77 KCNH3 (0.73) NPSR1APPGAAKCNH3RAD52

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-6159331-A Method of using bridging agent for laminates FORMICA CORPORATION (US) 2000-12-12 US disclosed