SCHEMBL29090786

SCHEMBL29090786

OCc1nc2ccccc2n1Cc1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.56
POLB P06746 1/20 0.55
TNF P01375 1/20 0.53
TSHR P16473 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
TP53 P04637 3/20 0.52
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
LMNA P02545 5/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 2/20 0.51
BRD4 O60885 1/20 0.49
KCNH2 Q12809 1/20 0.49
ALOX5AP P20292 1/20 0.49
MAPK1 P28482 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HTT P42858 2/20 0.49
USP2 O75604 1/20 0.49
MAPT P10636 1/20 0.49
MEN1 O00255 1/20 0.48

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
SCHEMBL29090789 0.84 HRH1 (0.49) HRH1TSHRSMN1; SMN2TP53RAB9A
SCHEMBL29205401 0.83 HRH1 (0.50) HRH1TSHRSMN1; SMN2TP53LMNA
SCHEMBL30282134 0.83 HRH1 (0.50) HRH1TSHRSMN1; SMN2TP53LMNA
SCHEMBL9671309 0.79 BRD4 (0.55) HRH1POLBSMN1; SMN2TP53KDM4E
SCHEMBL4985348 0.79 HRH1 (0.52) HRH1TSHRSMN1; SMN2TP53LMNA
SCHEMBL15568834 0.78 POLB (0.74) POLBTNFTSHRSMN1; SMN2TP53
SCHEMBL2757849 0.78 LMNA (0.73) TNFSMN1; SMN2TP53RAB9ALMNA
SCHEMBL28381278 0.77 CTSD (0.60) HRH1SMN1; SMN2TP53KDM4EBRD4
SCHEMBL24142608 0.75 HRH1 (0.76) HRH1POLBTP53KDM4EBRD4
SCHEMBL14173600 0.75 ALDH1A1 (0.61) HRH1TSHRTP53LMNAKMT2A

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