SCHEMBL28841360

SCHEMBL28841360

COc1cc(OC)c(C(=O)CN2C=CN(C)C2)c(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ HTR1A P08908 1/20 0.50
▸ ADRA2A P08913 1/20 0.50
▸ ADRA2C P18825 1/20 0.50
▸ OPRK1 P41145 1/20 0.50
▸ KCNH2 Q12809 1/20 0.50
▸ EBP Q15125 1/20 0.50
▸ SIGMAR1 Q99720 1/20 0.50
▸ HRH3 Q9Y5N1 1/20 0.50
▸ CYP3A4 P08684 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CYP2C19 P33261 1/20 0.39
▸ ABCG2 Q9UNQ0 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ KMT2A Q03164 1/20 0.35
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL28841345 0.83 MAPT (0.41) LMNAALDH1A1
Bromide SCHEMBL10528514 0.82 MAPT (0.40) LMNASMN1; SMN2ALDH1A1RAB9A
Bromide SCHEMBL3850385 0.82 RAB9A (0.53) LMNAUSP2SMN1; SMN2ALDH1A1KMT2A
Bromide SCHEMBL10528522 0.79 KMT2A (0.47) LMNACYP3A4USP2SMN1; SMN2CYP2C19
SCHEMBL28841407 0.77 ALDH1A1 (0.54) LMNAALDH1A1KMT2ARAB9A
SCHEMBL28841328 0.77 PDE4B (0.53) CYP2D6CYP3A4SMN1; SMN2CYP2C19ALDH1A1
SCHEMBL29793989 0.77 PDE4B (0.53) CYP2D6CYP3A4SMN1; SMN2CYP2C19ALDH1A1
Bromide SCHEMBL3853194 0.76 ALDH1A1 (0.56) LMNAALDH1A1KMT2ARAB9A
SCHEMBL10531109 0.76 MAPT (0.51) SMN1; SMN2ALDH1A1KMT2ARAB9A
SCHEMBL28841411 0.75 NPC1 (0.48) LMNASMN1; SMN2ALDH1A1KMT2ARAB9A

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-108690217-B Carbon fiber recycling composition and method 波音公司 2022-07-15 — — CN claimed
CN-108690217-B Carbon fiber recycling composition and method 波音公司 2022-07-15 — — CN disclosed
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