SCHEMBL20439755

SCHEMBL20439755

CCCNc1ccc(Br)c(C)c1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.38
PTGER4 P35408 2/20 0.37
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 3/20 0.31
PKM P14618 2/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CRHBP P24387 1/20 0.31
RAB9A P51151 1/20 0.31
CRHR2 Q13324 1/20 0.31
HCAR3 P49019 1/20 0.31
APP P05067 1/20 0.31
KDM6B O15054 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
HTT P42858 2/20 0.31
CCNC P24863 1/20 0.30
CDK8 P49336 1/20 0.30
TLR8 Q9NR97 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL29442635 0.85 PTGER4 (0.39) IDO1PTGER4KDM4EGAAMAPT
SCHEMBL16831571 0.85 PTGER4 (0.39) IDO1PTGER4KDM4EGAAMAPT
SCHEMBL28855491 0.84 PTGER4 (0.36) PTGER4KDM4EGAAMAPTPKM
SCHEMBL20797368 0.82 PTGER4 (0.36) PTGER4GAAMAPTNPC1ALDH1A1
SCHEMBL30620286 0.81 NCF1 (0.40) PTGER4ALDH1A1HTT
SCHEMBL22032134 0.81 CYP19A1 (0.40) PTGER4KDM4EGAAMAPTALDH1A1
SCHEMBL22032153 0.80 ALDH1A1 (0.41) PTGER4KDM4EGAAMAPTALDH1A1
SCHEMBL31162829 0.79 ALDH1A1 (0.40) PTGER4KDM4EGAAMAPTALDH1A1
SCHEMBL30620316 0.78 MAPT (0.34) PTGER4MAPTPKMPOLB
SCHEMBL28855533 0.77 KCNH3 (0.35) PTGER4KDM4EGAAMAPTNPC1

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