SCHEMBL29090789

SCHEMBL29090789

c1ccc(Cn2c(COCc3nc4ccccc4n3Cc3ccccn3)nc3ccccc32)nc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.49
KCNH2 Q12809 1/20 0.48
ALOX5AP P20292 1/20 0.48
ALDH1A1 P00352 2/20 0.48
CFTR P13569 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TSHR P16473 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
RAB9A P51151 2/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
TP53 P04637 4/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
BRD4 O60885 1/20 0.46

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
SCHEMBL29090786 0.84 HRH1 (0.56) HRH1KCNH2ALOX5APALDH1A1MEN1
SCHEMBL30282134 0.82 HRH1 (0.50) HRH1KCNH2ALOX5APALDH1A1CFTR
SCHEMBL29205401 0.82 HRH1 (0.50) HRH1KCNH2ALOX5APALDH1A1CFTR
SCHEMBL28381278 0.78 CTSD (0.60) HRH1ALOX5APALDH1A1HTTTP53
SCHEMBL4985348 0.78 HRH1 (0.52) HRH1KCNH2ALOX5APALDH1A1CFTR
SCHEMBL2757849 0.77 LMNA (0.73) ALDH1A1MEN1KMT2ANPSR1RAB9A
SCHEMBL9671309 0.75 BRD4 (0.55) HRH1KCNH2ALOX5APALDH1A1CFTR
SCHEMBL24142608 0.74 HRH1 (0.76) HRH1KCNH2ALOX5APALDH1A1CFTR
SCHEMBL10720315 0.74 HTT (0.59) HRH1KCNH2ALOX5APALDH1A1CFTR
SCHEMBL9730468 0.74 ALOX5AP (0.51) HRH1KCNH2ALOX5APALDH1A1CFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116640321-A Nickel coordination polymer and nickel coordination polymer carbon paste composite electrode and application thereof in electrocatalytic hydrogen evolution 兰州交通大学 2023-08-25 CN claimed
CN-116640321-A Nickel coordination polymer and nickel coordination polymer carbon paste composite electrode and application thereof in electrocatalytic hydrogen evolution 兰州交通大学 2023-08-25 CN disclosed