SCHEMBL30368149

SCHEMBL30368149

CC(C)Nc1c([N+](=O)[O-])cnc2c1cc(Br)n2S(=O)(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
ALDH3A1 P30838 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 4/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
DCTPP1 Q9H773 1/20 0.34
ALDH1A1 P00352 4/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
DOT1L Q8TEK3 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
HPGD P15428 1/20 0.33
LRRK2 Q5S007 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL24165220 1.00 BRD4 (0.39) BRD4PTGDR2KMT2AMEN1ALDH3A1
SCHEMBL29486806 0.81 DCTPP1 (0.42) PTGDR2KMT2AMEN1POLBDCTPP1
SCHEMBL24164979 0.81 DCTPP1 (0.42) PTGDR2KMT2AMEN1POLBDCTPP1
SCHEMBL24165289 0.79 PTGDR2 (0.36) PTGDR2KMT2AMEN1POLBMAPT
SCHEMBL24165086 0.78 BRD4 (0.37) BRD4KMT2AMEN1MAPTALDH1A1
SCHEMBL24165002 0.77 MAPK1 (0.37) BRD4PTGDR2MAPK1LRRK2
SCHEMBL29428761 0.71 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1CYP2C19GAA
SCHEMBL31411153 0.69 LRRK2 (0.55) KMT2AMEN1POLBMAPTLMNA
SCHEMBL30493927 0.69 PTGDR2 (0.38) PTGDR2KMT2AMEN1POLBMAPT
SCHEMBL29181142 0.68 HTT (0.50) BRD4KMT2AMEN1POLBMAPT

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-4175719-A1 TRICYCLIC UREA COMPOUNDS AS JAK2 V617F INHIBITORS Incyte Corporation (US) 2023-05-10 EP disclosed