SCHEMBL24427083

SCHEMBL24427083

CCCc1nc(-c2ccccc2)c(-c2ccccc2)n1CC(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 3/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 3/20 0.45
FABP4 P15090 1/20 0.43
FAAH O00519 4/20 0.41
HPGD P15428 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
NPC1 O15118 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL24427050 0.86 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2LMNAMAPTKDM4E
SCHEMBL24427079 0.72 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2LMNAMAPTMEN1
SCHEMBL14528489 0.71 FABP4 (0.56) ALDH1A1SMN1; SMN2MAPTKDM4EFABP4
SCHEMBL5536167 0.69 TLR7 (0.53) ALDH1A1SMN1; SMN2
SCHEMBL1301722 0.69 TLR7 (0.72)
SCHEMBL24427048 0.69 TLR7 (0.39) ALDH1A1SMN1; SMN2LMNAKDM4EFABP4
SCHEMBL24427104 0.69 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAMAPTKDM4E
SCHEMBL22863463 0.68 TLR7 (0.45) ALDH1A1SMN1; SMN2LMNAMAPTKDM4E
SCHEMBL22863456 0.68 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2LMNAKDM4EMEN1
SCHEMBL22863470 0.68 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2LMNAKDM4EMEN1

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
EP-3998255-A1 SMALL-MOLECULE REGULATOR OF TLR8 Tsinghua University (CN) 2022-05-18 EP disclosed