SCHEMBL8994729

SCHEMBL8994729

CN(C)c1cccc(C(=O)C=Cc2ccccc2)c1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.70
KMT2A Q03164 5/20 0.70
CYP1B1 Q16678 4/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
NPC1 O15118 1/20 0.70
CASP3 P42574 1/20 0.70
RAB9A P51151 1/20 0.70
SENP8 Q96LD8 1/20 0.70
SENP7 Q9BQF6 1/20 0.70
SENP6 Q9GZR1 1/20 0.70
LMNA P02545 4/20 0.64
ALDH1A1 P00352 4/20 0.64
MEN1 O00255 4/20 0.64
POLB P06746 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
ALPG P10696 1/20 0.64
ATM Q13315 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
TLR9 Q9NR96 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64

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
Chalcone SCHEMBL28260009 0.89 MAPT (0.88) MAPTKMT2ACYP1B1SMN1; SMN2NPC1
SCHEMBL9338238 0.85 MAPT (0.65) MAPTKMT2ACYP1B1SMN1; SMN2NPC1
SCHEMBL9338230 0.85 MAPT (0.65) MAPTKMT2ACYP1B1SMN1; SMN2NPC1
SCHEMBL3687869 0.84 BCHE (0.54) MAPTKMT2ACYP1B1SMN1; SMN2NPC1
SCHEMBL13203405 0.84 CYP1B1 (0.81) MAPTKMT2ACYP1B1SMN1; SMN2RAB9A
SCHEMBL4582427 0.83 MAPT (0.88) MAPTKMT2ACYP1B1SMN1; SMN2NPC1
SCHEMBL3448404 0.83 MAPT (0.88) MAPTKMT2ACYP1B1SMN1; SMN2NPC1
SCHEMBL3448406 0.83 MAPT (0.88) MAPTKMT2ACYP1B1SMN1; SMN2NPC1
SCHEMBL482916 0.83 MAPT (1.00) MAPTKMT2ACYP1B1SMN1; SMN2NPC1
SCHEMBL482915 0.83 MAPT (1.00) MAPTKMT2ACYP1B1SMN1; SMN2NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0651024-B1 Method of producing polymethine dyes MINNESOTA MINING & MFG (US) 1996-08-14 EP disclosed
EP-0651024-A1 Method of producing polymethine dyes MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-05-03 EP disclosed
US-5386058-A Method of producing polymethine dyes MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-01-31 US disclosed