SCHEMBL28953120

SCHEMBL28953120

CCCOc1cccc(C(=O)CN2C=CN(C)C2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.54
▸ NR1H4 Q96RI1 1/20 0.45
▸ THRA P10827 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ RAB9A P51151 4/20 0.44
▸ NPC1 O15118 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ SMPD1 P17405 3/20 0.43
▸ KAT6A Q92794 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPT P10636 2/20 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
SCHEMBL29794123 1.00 KMT2A (0.54) KMT2ANR1H4THRATHRBRAB9A
SCHEMBL10529177 0.90 RAB9A (0.44) KMT2ANR1H4RAB9ANPC1SMN1; SMN2
Bromide SCHEMBL10528609 0.89 RAB9A (0.44) KMT2ANR1H4RAB9ANPC1SMN1; SMN2
SCHEMBL10531109 0.85 MAPT (0.51) KMT2ARAB9ANPC1SMN1; SMN2ALDH1A1
Bromide SCHEMBL3853590 0.84 NPC1 (0.53) KMT2ARAB9ANPC1SMN1; SMN2ALDH1A1
Iodide SCHEMBL10531088 0.84 MAPT (0.50) KMT2ARAB9ANPC1SMN1; SMN2ALDH1A1
Bromide SCHEMBL10526720 0.84 NPC1 (0.53) KMT2ARAB9ANPC1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL10528594 0.84 MAPT (0.50) KMT2ARAB9ANPC1SMN1; SMN2ALDH1A1
Bromide SCHEMBL10526719 0.84 L3MBTL1 (0.52) KMT2ATHRATHRBSMN1; SMN2ALDH1A1
Phosphoric Acid SCHEMBL10529465 0.81 MAPT (0.47) KMT2ARAB9ANPC1SMN1; SMN2ALDH1A1

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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