SCHEMBL21077974

SCHEMBL21077974

CCCN(C(=O)c1ccc(C(C)C)cc1)C(C)CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP5 P45974 1/20 0.41
HPGD P15428 1/20 0.41
NAMPT P43490 1/20 0.41
CYP2C9 P11712 1/20 0.39
MLYCD O95822 1/20 0.39
EGFR P00533 2/20 0.38
ERBB2 P04626 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
TP53 P04637 2/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
FASN P49327 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL11785050 0.81 TSHR (0.55) HPGDHDAC1HDAC6HSP90AA1HSP90AB1
SCHEMBL21078118 0.80 MLYCD (0.58) USP5HPGDCYP2C9MLYCDEGFR
SCHEMBL25870883 0.77 NAMPT (0.49) USP5HPGDNAMPTCYP2C9HDAC1
SCHEMBL13577938 0.74 MLYCD (0.51) HPGDMLYCDEGFRERBB2HDAC1
SCHEMBL14628695 0.74 HTT (0.50) HPGDCYP2C9HDAC1TP53SMN1; SMN2
SCHEMBL4472102 0.73 HSP90AA1 (0.58) HPGDMLYCDHSP90AA1HSP90AB1MEN1
SCHEMBL11779300 0.73 TSHR (0.63) HPGDCYP2C9HSP90AA1HSP90AB1ALDH1A1
SCHEMBL24607682 0.72 HDAC6 (0.49) USP5HPGDNAMPTCYP2C9EGFR
SCHEMBL10169810 0.71 USP5 (0.47) USP5HPGDNAMPTCYP2C9HDAC1
SCHEMBL23709482 0.70 HPGD (0.49) USP5HPGDCYP2C9MLYCDEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 EP disclosed