SCHEMBL20439677

SCHEMBL20439677

Cc1ccc(C)c(C(=O)N2CCc3ccc(Br)cc3C2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.54
HPGD P15428 3/20 0.54
ALDH1A1 P00352 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
ABHD6 Q9BV23 2/20 0.49
RAB9A P51151 3/20 0.47
KRAS P01116 1/20 0.47
HSP90AA1 P07900 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
NPC1 O15118 1/20 0.44
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MYC P01106 1/20 0.42
HSD17B3 P37058 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL20440035 0.89 ABHD6 (0.49) HTTHPGDALDH1A1CYP3A4CYP2C9
SCHEMBL16588035 0.84 HTT (0.76) HTTHPGDALDH1A1CYP3A4CYP2C9
SCHEMBL20425782 0.81 RAB9A (0.51) HTTHPGDALDH1A1CYP3A4CYP2C9
SCHEMBL20425631 0.81 MAPK1 (0.51) HTTHPGDALDH1A1CYP3A4CYP2C9
SCHEMBL23116425 0.78 HPGD (0.42) HTTHPGDALDH1A1CYP3A4CYP2C9
SCHEMBL29839323 0.78 HPGD (0.42) HTTHPGDALDH1A1CYP3A4CYP2C9
SCHEMBL4518190 0.78 NOTUM (0.63) ABHD6RAB9ANPC1HSD17B3
SCHEMBL30575058 0.78 NOTUM (0.63) ABHD6RAB9ANPC1HSD17B3
SCHEMBL3808915 0.76 ABHD6 (0.59) HTTHPGDABHD6RAB9ANPSR1
SCHEMBL31598007 0.76 ABHD6 (0.59) HTTHPGDABHD6RAB9ANPSR1

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