SCHEMBL21649965

SCHEMBL21649965

C/C1=C/c2ccccc2C(=O)N(C)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 3/20 0.55
▸ CES1 P23141 1/20 0.55
▸ CASP3 P42574 1/20 0.47
▸ DRD2 P14416 1/20 0.45
▸ HTR6 P50406 1/20 0.45
▸ NR1H3 Q13133 7/20 0.44
▸ NR1H2 P55055 5/20 0.44
▸ TRPA1 O75762 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ MTOR P42345 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ EPHX2 P34913 2/20 0.43
▸ GPR84 Q9NQS5 1/20 0.42
▸ LRRK2 Q5S007 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ RECQL P46063 1/20 0.41

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
SCHEMBL26224170 0.88 TTR (0.52) TTRCES1CASP3DRD2HTR6
SCHEMBL12459415 0.82 GPR84 (0.54) TTRCES1CASP3DRD2HTR6
SCHEMBL23569635 0.81 MEN1 (0.38) TTRCES1CASP3DRD2HTR6
SCHEMBL16127516 0.79 TTR (0.75) TTRCES1CASP3DRD2HTR6
SCHEMBL14288790 0.77 DRD2 (0.58) TTRCES1CASP3DRD2HTR6
SCHEMBL12059596 0.75 TTR (0.69) TTRCES1CASP3DRD2HTR6
SCHEMBL23255178 0.72 MEN1 (0.39) TTRCES1CASP3DRD2HTR6
SCHEMBL29511191 0.72 CASP3 (0.81) TTRCES1CASP3NR1H3NR1H2
SCHEMBL28263 0.72 CASP3 (0.81) TTRCES1CASP3NR1H3NR1H2
SCHEMBL7270394 0.72 — —

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
EP-3598983-A1 SULFAMIDE LINKER, CONJUGATES THEREOF, AND METHODS OF PREPARATION Synaffix B.V. (NL) 2020-01-29 — — EP disclosed
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