SCHEMBL31160422

SCHEMBL31160422

Clc1cccc(CSc2nnc(Cc3cccc4c3[nH]c3ccccc34)n2-c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ SIRT2 Q8IXJ6 4/20 0.47
▸ LMNA P02545 3/20 0.46
▸ METAP2 P50579 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ HPGD P15428 3/20 0.45
▸ HTT P42858 2/20 0.45
▸ GLA P06280 1/20 0.44
▸ SSTR4 P31391 1/20 0.44
▸ SSTR3 P32745 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL31160436 0.91 SIRT2 (0.54) SMN1; SMN2SIRT2LMNATP53GAA
SCHEMBL31160404 0.91 SIRT2 (0.53) SMN1; SMN2SIRT2LMNAGAANPSR1
SCHEMBL31160457 0.89 GAA (0.56) SMN1; SMN2SIRT2LMNATP53GAA
SCHEMBL31160407 0.89 LMNA (0.59) SMN1; SMN2SIRT2LMNATP53GAA
SCHEMBL31160391 0.89 SIRT2 (0.60) SMN1; SMN2SIRT2LMNAMETAP2TP53
SCHEMBL31160427 0.87 HPGD (0.51) SMN1; SMN2SIRT2LMNAMETAP2GAA
SCHEMBL31160456 0.86 SMN1; SMN2 (0.51) SMN1; SMN2SIRT2LMNATP53GAA
SCHEMBL31160450 0.86 ALDH1A1 (0.52) SMN1; SMN2SIRT2LMNAGAANPSR1
SCHEMBL31160340 0.85 SMN1; SMN2 (0.47) SMN1; SMN2SIRT2LMNATP53GAA
SCHEMBL31160398 0.85 HTT (0.54) SMN1; SMN2SIRT2LMNATP53GAA

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
CN-119019374-A Carbazole compound for preventing and treating plant pathogenic bacteria, and synthetic method and application thereof 贵州大学 2024-11-26 — — CN disclosed
Send feedback