SCHEMBL20923904

SCHEMBL20923904

CC(C)(C)c1ccc2c(c1)CN(CCCO)C2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 3/20 0.46
BTK Q06187 2/20 0.41
HDAC6 Q9UBN7 2/20 0.40
KDM4E B2RXH2 4/20 0.39
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
DRD2 P14416 2/20 0.37
DRD5 P21918 2/20 0.37
DRD3 P35462 2/20 0.37
HTR1A P08908 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 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
SCHEMBL20924128 0.82 PRF1 (0.46) PRF1HDAC6KDM4ETSHRALOX15
SCHEMBL21341297 0.81 PRF1 (0.43) PRF1BTKHDAC6ALDH1A1HDAC4
SCHEMBL16979077 0.80 PRF1 (0.44) PRF1HDAC6KDM4ETSHRALOX15
SCHEMBL1500456 0.79 PRF1 (0.46) PRF1HDAC6KDM4ETSHRALOX15
SCHEMBL2018210 0.79 PRF1 (0.46) PRF1HDAC6KDM4ETSHRALOX15
SCHEMBL14084767 0.76 ALDH1A1 (0.43) PRF1BTKALDH1A1CA12CA1
SCHEMBL20924338 0.75 PRF1 (0.61) PRF1HDAC6KDM4E
SCHEMBL9375738 0.75 KDM4E (0.65) HDAC6KDM4ETSHRALOX15SIRT1
SCHEMBL15570900 0.74 PRF1 (0.54) PRF1KDM4ETSHRALOX15SIRT1
SCHEMBL15571449 0.73 PRF1 (0.61) PRF1KDM4E

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-2888251-B1 PERFORIN INHIBITING BENZENESULFONAMIDE COMPOUNDS, PREPARATION AND USES THEREOF PETER MACCALLUM CANCER INST (AU) 2019-04-24 EP disclosed