SCHEMBL30227451

SCHEMBL30227451

CCCCc1cc(O)nc(N)n1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.51
HRH2 P25021 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
HRH4 Q9H3N8 1/20 0.44
PDPK1 O15530 2/20 0.43
CDK1 P06493 1/20 0.41
CDK2 P24941 1/20 0.41
IKBKB O14920 1/20 0.40
GPR84 Q9NQS5 5/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
TLR7 Q9NYK1 2/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
TLR8 Q9NR97 1/20 0.37

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
SCHEMBL13153647 1.00 NOS2 (0.51) NOS2HRH2HRH3HRH4PDPK1
SCHEMBL8523463 0.95 HRH2 (0.47) NOS2HRH2HRH3HRH4PDPK1
SCHEMBL23880689 0.93 CDK1 (0.48) NOS2HRH2HRH3PDPK1CDK1
SCHEMBL23880688 0.93 CDK1 (0.48) NOS2HRH2HRH3PDPK1CDK1
SCHEMBL28041064 0.93 CDK1 (0.48) NOS2HRH2HRH3PDPK1CDK1
SCHEMBL13153625 0.89 NOS2 (0.48) NOS2HRH2HRH3PDPK1CDK1
SCHEMBL30227466 0.89 NOS2 (0.48) NOS2HRH2HRH3PDPK1CDK1
SCHEMBL12483365 0.81 NOS2 (0.46) NOS2HRH2HRH3IKBKBGPR84
SCHEMBL5748988 0.80 HRH3 (0.46) NOS2HRH3HRH4PDPK1CDK1
SCHEMBL6531704 0.80 NOS2 (0.53) NOS2HRH2HRH3HRH4PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4127006-A1 METHODS OF SYNTHESIZING MULTI-HYDROGEN BONDING OLIGOMERS Covestro (Netherlands) B.V. (NL) 2023-02-08 EP disclosed
EP-4126542-A1 MULTI-LAYERED OPTICAL DEVICES Covestro (Netherlands) B.V. (NL) 2023-02-08 EP disclosed
EP-4127794-A1 SELF-HEALING OPTICAL FIBERS AND THE COMPOSITIONS USED TO CREATE THE SAME Covestro (Netherlands) B.V. (NL) 2023-02-08 EP disclosed