SCHEMBL20439762

SCHEMBL20439762

Cc1cc2c(c(NO)c1)CCN(C(=O)c1ccccc1)C2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC6 Q9UBN7 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 3/20 0.43
NAMPT P43490 2/20 0.43
PDE4B Q07343 1/20 0.43
RECQL P46063 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 2/20 0.42
CDK4 P11802 1/20 0.42
CCND1 P24385 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
SCHEMBL20439976 0.85 POLB (0.50) PTGS1MEN1KMT2APTGDR2ALDH1A1
SCHEMBL20439645 0.79 PTGS2 (0.45) PTGS1RAB9AMEN1KMT2AALDH1A1
SCHEMBL20425836 0.75 HPGD (0.48) PTGS1RAB9AMEN1KMT2APTGDR2
SCHEMBL10211721 0.74 HPGD (0.56) MEN1KMT2APTGDR2ALDH1A1HPGD
SCHEMBL3159784 0.72 CARM1 (0.57) PTGS1MEN1KMT2AALDH1A1HPGD
SCHEMBL30277860 0.71 HPGD (0.73) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL4279383 0.71 HPGD (0.73) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL23979102 0.70 ITGB2 (0.58) HDAC6
SCHEMBL3163275 0.70 HPGD (0.53) PTGS1MEN1KMT2AALDH1A1HPGD
SCHEMBL14591322 0.70 PTGDR2 (0.58) MEN1KMT2APTGDR2ALDH1A1HPGD

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