SCHEMBL20439780

SCHEMBL20439780

O=C(c1ccccc1)N1CCc2ccc(Br)cc2C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
HTT P42858 1/20 0.59
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
ABHD6 Q9BV23 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
AKR1C3 P42330 1/20 0.53
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
NAMPT P43490 1/20 0.51
RAB9A P51151 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PRMT5 O14744 3/20 0.51
WDR77 Q9BQA1 3/20 0.51

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
SCHEMBL20425665 0.92 HDAC6 (0.58) HPGDSMN1; SMN2HTTALDH1A1LMNA
SCHEMBL16523571 0.84 CA1 (0.61) HPGDSMN1; SMN2ALDH1A1LMNAHDAC6
SCHEMBL3808915 0.83 ABHD6 (0.59) HPGDSMN1; SMN2HTTABHD6MEN1
SCHEMBL31598007 0.83 ABHD6 (0.59) HPGDSMN1; SMN2HTTABHD6MEN1
SCHEMBL4279383 0.83 HPGD (0.73) HPGDSMN1; SMN2HTTALDH1A1LMNA
SCHEMBL30277860 0.83 HPGD (0.73) HPGDSMN1; SMN2HTTALDH1A1LMNA
SCHEMBL20425631 0.82 MAPK1 (0.51) HPGDSMN1; SMN2HTTALDH1A1LMNA
SCHEMBL24503025 0.81 ABHD6 (0.54) HPGDSMN1; SMN2HTTALDH1A1LMNA
SCHEMBL20046984 0.80 PDE4B (0.54) HPGDSMN1; SMN2HTTALDH1A1ABHD6
SCHEMBL13717628 0.80 GAA (0.55) HPGDSMN1; SMN2HTTALDH1A1ABHD6

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-2018140876-A1 NRF2 ACTIVATOR BIOGEN MA INC. (US) 2018-08-02 WO disclosed