SCHEMBL29793989

SCHEMBL29793989

COc1ccc(C(=O)CN2C=CN(C)C2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 4/20 0.53
▸ MAPT P10636 5/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ TSHR P16473 2/20 0.49
▸ CTNNB1 P35222 2/20 0.49
▸ WNT3A P56704 2/20 0.49
▸ CYP2C9 P11712 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ CBX7 O95931 2/20 0.46
▸ CDYL2 Q8N8U2 2/20 0.46
▸ CDYL Q9Y232 2/20 0.46
▸ CDY1; CDY1B Q9Y6F8 2/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46

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
SCHEMBL28841328 1.00 PDE4B (0.53) PDE4BMAPTALDH1A1CYP1A2CYP3A4
SCHEMBL28841407 0.82 ALDH1A1 (0.54) MAPTALDH1A1POLBMEN1KMT2A
Bromide SCHEMBL3853194 0.81 ALDH1A1 (0.56) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL10531109 0.80 MAPT (0.51) MAPTALDH1A1POLBCTNNB1WNT3A
Bromide SCHEMBL3853590 0.79 NPC1 (0.53) MAPTALDH1A1POLBCTNNB1WNT3A
Bromide SCHEMBL10526720 0.79 NPC1 (0.53) MAPTALDH1A1POLBCTNNB1WNT3A
Hydrochloric Acid SCHEMBL10528594 0.79 MAPT (0.50) MAPTALDH1A1POLBCTNNB1WNT3A
SCHEMBL28841345 0.79 MAPT (0.41) MAPTALDH1A1POLBTSHRALOX15
Bromide SCHEMBL10528522 0.78 KMT2A (0.47) MAPTALDH1A1CYP3A4CYP2C19TSHR
Bromide SCHEMBL10528514 0.78 MAPT (0.40) MAPTALDH1A1POLBTSHRALOX15

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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