SCHEMBL26223177

SCHEMBL26223177

CN1C(=O)c2ccccc2C2=C(C2)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 3/20 0.58
▸ CES1 P23141 1/20 0.58
▸ CASP3 P42574 1/20 0.50
▸ DRD2 P14416 1/20 0.47
▸ HTR6 P50406 1/20 0.47
▸ NR1H3 Q13133 7/20 0.46
▸ NR1H2 P55055 5/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ TRPA1 O75762 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ MTOR P42345 1/20 0.46
▸ EPHX2 P34913 2/20 0.45
▸ LRRK2 Q5S007 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ERBB2 P04626 1/20 0.43

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
SCHEMBL27409673 0.84 TTR (0.53) TTRCES1CASP3DRD2HTR6
SCHEMBL16127516 0.82 TTR (0.75) TTRCES1CASP3DRD2HTR6
SCHEMBL12059596 0.78 TTR (0.69) TTRCES1CASP3DRD2HTR6
SCHEMBL11652592 0.75 TTR (0.46) TTRCES1CASP3DRD2HTR6
SCHEMBL28263 0.75 CASP3 (0.81) TTRCES1CASP3NR1H3NR1H2
SCHEMBL29511191 0.75 CASP3 (0.81) TTRCES1CASP3NR1H3NR1H2
SCHEMBL14288783 0.74 TTR (0.53) TTRCES1CASP3DRD2HTR6
SCHEMBL126628 0.74 CES1 (1.00) TTRCES1CASP3RAB9ATRPA1
SCHEMBL30077375 0.74 TTR (0.69) TTRCES1CASP3DRD2HTR6
SCHEMBL13039623 0.74 TTR (0.69) TTRCES1CASP3DRD2HTR6

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
WO-2023141855-A1 PROTEIN CONJUGATES WITH MULTIPLE PAYLOADS AND METHODS FOR MAKING THE SAME GLYCO-THERAPY BIOTECHNOLOGY CO., LTD. (CN) 2023-08-03 — — WO disclosed
WO-2023065137-A1 SITE-SPECIFIC GLYCOPROTEIN CONJUGATES AND METHODS FOR MAKING THE SAME GLYCO-THERAPY BIOTECHNOLOGY CO., LTD. (CN) 2023-04-27 — — WO disclosed
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