SCHEMBL29809167

SCHEMBL29809167

Nc1nc2ccccc2c2c1[nH]c(=O)n2Cc1ccccc1CN1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 9/20 0.47
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MPO P05164 1/20 0.40
TPO P07202 1/20 0.40
PARP1 P09874 1/20 0.39
ADORA2A P29274 3/20 0.39
ADORA1 P30542 3/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL24732573 1.00 TLR7 (0.47) TLR7SMN1; SMN2ALDH1A1MPOTPO
SCHEMBL24732756 0.89 TLR7 (0.56) TLR7ALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL29809462 0.89 TLR7 (0.56) TLR7ALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL24732895 0.88 TLR7 (0.55) TLR7ALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL24732576 0.87 TLR7 (0.51) TLR7ALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL29809227 0.87 TLR7 (0.51) TLR7ALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL24732574 0.87 ALDH1A1 (0.40) TLR7SMN1; SMN2ALDH1A1MPOTPO
SCHEMBL29809165 0.87 ALDH1A1 (0.40) TLR7SMN1; SMN2ALDH1A1MPOTPO
SCHEMBL24732806 0.86 TLR7 (0.45) TLR7SMN1; SMN2ALDH1A1PARP1MEN1
SCHEMBL24732757 0.86 TLR7 (0.50) TLR7ALDH1A1MEN1CYP1A2CYP2D6

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-114805341-B Aromatic heterocyclic compound, and preparation method and application thereof 上海翊石医药科技有限公司 2023-12-08 CN disclosed
CN-114805341-A Aromatic heterocyclic compounds and preparation method and application thereof 上海翊石医药科技有限公司 2022-07-29 CN disclosed