SCHEMBL16488346

SCHEMBL16488346

CCOCN(C(N)=O)c1ccc(Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALOX5 P09917 1/20 0.38
ALDH1A1 P00352 3/20 0.37
TP53 P04637 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 3/20 0.36
MAPK1 P28482 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 1/20 0.36
USP2 O75604 1/20 0.35

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
SCHEMBL27544700 0.81 ALDH1A1 (0.46) ALOX5ALDH1A1TDP1CYP3A4MAPT
SCHEMBL5681948 0.80 ALOX5 (0.42) HPGDALOX5ALDH1A1TP53TDP1
SCHEMBL16488327 0.79 ALOX5 (0.44) HPGDALOX5ALDH1A1TP53MAPT
SCHEMBL7534719 0.73 ALOX5 (0.39) ALOX5ALDH1A1TP53MAPK1MEN1
Hydrochloric Acid SCHEMBL6111921 0.69 ALOX5 (0.39) ALOX5ALDH1A1MAPTMAPK1MEN1
SCHEMBL250872 0.68 ALDH1A1 (0.52) ALDH1A1TP53TDP1CYP3A4MAPT
SCHEMBL8342856 0.68 ALDH1A1 (0.47) HPGDNPC1RAB9AALDH1A1TDP1
SCHEMBL8171774 0.68 ALDH1A1 (0.52) HPGDNPC1RAB9AALDH1A1TP53
SCHEMBL3997515 0.67 ALOX5 (0.47) HPGDRAB9AALOX5ALDH1A1TDP1
Ether SCHEMBL6687627 0.67 CYP2A6 (0.50) HPGDNPC1RAB9AALDH1A1MAPT

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-2195302-B1 INSECTICIDAL SUBSTITUTED AZINYL DERIVATIVES DOW AGROSCIENCES LLC (US) 2015-02-18 EP disclosed