SCHEMBL24892162

SCHEMBL24892162

N#CCNc1nc(Cl)c(C#N)c2c1CNCC2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.42
GLA P06280 2/20 0.42
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 5/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HPGD P15428 3/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
VCP P55072 2/20 0.33
NSD2 O96028 1/20 0.33
MAPK1 P28482 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
PNMT P11086 1/20 0.33
HTR2B P41595 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PDE5A O76074 1/20 0.32

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
Hydrochloric Acid SCHEMBL30182966 0.83 SMN1; SMN2 (0.40) HTTGLAKDM4EALDH1A1L3MBTL1
SCHEMBL24891984 0.77 KDM4E (0.38) HTTGLAKDM4EALDH1A1L3MBTL1
SCHEMBL24891788 0.75 HTT (0.46) HTTGLAKDM4EALDH1A1L3MBTL1
SCHEMBL24892268 0.69 ALDH1A1 (0.72) HTTGLAKDM4EALDH1A1HPGD
SCHEMBL24892008 0.68 ALDH1A1 (0.55) HTTGLAKDM4EALDH1A1HPGD
SCHEMBL24891797 0.66 ALDH1A1 (0.69) HTTGLAKDM4EALDH1A1HPGD
SCHEMBL28308550 0.65 NSD2 (0.44) HTTGLAKDM4EALDH1A1L3MBTL1
SCHEMBL16935306 0.61 ALDH1A1 (0.66) KDM4EALDH1A1HPGDGAAKMT2A
SCHEMBL24590223 0.60 HTT (0.39) HTTGLAKDM4EALDH1A1L3MBTL1
SCHEMBL24256904 0.60 L3MBTL1 (0.83) HTTGLAKDM4EALDH1A1L3MBTL1

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
WO-2023285583-A1 5,6,7,8-TETRAHYDRO-2,6- AND 2,7-NAPHTHYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF DISEASES RESPONSIVE TO CITRATE TRANSPORTER MODULATION ETERNYGEN UK LTD. (GB) 2023-01-19 WO disclosed