SCHEMBL5068600

SCHEMBL5068600

[CH2]NC(=O)Cc1ccc(C)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.58
KMT2A Q03164 4/20 0.54
RAB9A P51151 4/20 0.54
MEN1 O00255 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 3/20 0.54
GAA P10253 1/20 0.54
LMNA P02545 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CNR2 P34972 1/20 0.50
GAPDH P04406 1/20 0.50
NLRP3 Q96P20 1/20 0.50
EGFR P00533 3/20 0.49
ERBB2 P04626 3/20 0.49

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
SCHEMBL171860 0.81 HPGD (0.59) HPGDKMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL743447 0.81 MEN1 (0.42) HPGDKMT2ARAB9AMEN1GAA
SCHEMBL12938972 0.81 KMT2A (0.63) HPGDKMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL8313887 0.81 CA2 (0.56) RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL9199661 0.79 CES2 (0.42) HPGDKMT2AMEN1SMN1; SMN2GAA
SCHEMBL3369337 0.79 GAA (0.63) KMT2ARAB9AMEN1SMN1; SMN2GAA
SCHEMBL21664611 0.79 HPGD (0.58) HPGDKMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL934891 0.79 AOC2 (0.64) HPGDKMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL6244676 0.79 LMNA (0.59) KMT2ARAB9AMEN1SMN1; SMN2NPC1
SCHEMBL3369054 0.79 HTT (0.73) KMT2ARAB9AMEN1SMN1; 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
US-7338768-B1 Carrier-reporter bead assemblies NANOMICS BIOSYSTEMS PTY. LTD. (AU) 2008-03-04 US claimed
US-6307018-B1 TWO OLIGOPEPTIDES ARE LIGATED TO FORM A LIGATION PRODUCT HAVING AN AMINOTHIOESTER LINKAGE; IN A SECOND STEP, THE AMINOTHIOESTER LINKAGE REARRANGES TO FORM A PRODUCT HAVING AN N-SUBSTITUTED AMIDE LINKAGE THE SCRIPPS RESEARCH INSTITUTE 2001-10-23 US disclosed
WO-1998028434-A1 GENERAL CHEMICAL LIGATION THE SCRIPPS RESEARCH INSTITUTE (US) 1998-07-02 WO disclosed