SCHEMBL26181571

SCHEMBL26181571

C=CCC(C)(CC)Cn1cccc([N+](=O)[O-])c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.42
ALDH1A1 P00352 6/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ELANE P08246 1/20 0.40
HTT P42858 1/20 0.40
RAD52 P43351 1/20 0.37
GAA P10253 2/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 3/20 0.34
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
PTBP1 P26599 1/20 0.32
CA12 O43570 1/20 0.32
HPGD P15428 1/20 0.31

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
SCHEMBL26181572 0.80 ELANE (0.36) ELANENPC1RAB9A
SCHEMBL7274698 0.76 RECQL (0.51) RECQLALDH1A1L3MBTL1SMN1; SMN2ELANE
SCHEMBL17603200 0.74 RECQL (0.55) RECQLALDH1A1L3MBTL1SMN1; SMN2ELANE
SCHEMBL13075102 0.73 ALDH1A1 (0.51) RECQLALDH1A1L3MBTL1SMN1; SMN2ELANE
SCHEMBL20945000 0.70 NPSR1 (0.49) RECQLALDH1A1L3MBTL1SMN1; SMN2ELANE
SCHEMBL15435555 0.68 RECQL (0.52) RECQLALDH1A1L3MBTL1SMN1; SMN2ELANE
SCHEMBL8993820 0.68 ELANE (0.52) RECQLALDH1A1L3MBTL1SMN1; SMN2ELANE
SCHEMBL25434321 0.68 RECQL (0.55) RECQLALDH1A1L3MBTL1SMN1; SMN2ELANE
SCHEMBL15804039 0.67 RECQL (0.51) RECQLALDH1A1L3MBTL1SMN1; SMN2ELANE
SCHEMBL7234130 0.67 RAD52 (0.56) RECQLALDH1A1L3MBTL1SMN1; SMN2ELANE

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
WO-2023110138-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-06-22 WO disclosed