SCHEMBL1867873

SCHEMBL1867873

CCC(C)[C@H](NC)C(=O)N[C@@H](C(=O)NCc1cnc2[nH]ccc2c1)C(C1CCCCC1)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.45
KLKB1 P03952 7/20 0.39
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
KLK1 P06870 3/20 0.37
CHRNA7 P36544 1/20 0.36
METTL3 Q86U44 1/20 0.36
METTL14 Q9HCE5 1/20 0.36
F2RL1 P55085 4/20 0.35
ABL1 P00519 1/20 0.35
ACKR3 P25106 2/20 0.35
REN P00797 1/20 0.34
CTSE P14091 1/20 0.34
JAK1 P23458 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL1873628 0.95 MASP2 (0.43) MASP2KLKB1TP53TSHRKLK1
SCHEMBL1864797 0.83 MASP2 (0.40) MASP2KLKB1CHRNA7METTL3METTL14
SCHEMBL1864799 0.83 MASP2 (0.40) MASP2KLKB1CHRNA7METTL3METTL14
SCHEMBL1864803 0.83 MASP2 (0.40) MASP2KLKB1CHRNA7METTL3METTL14
SCHEMBL1433327 0.82 TP53 (0.42) MASP2TP53TSHRMETTL3F2RL1
SCHEMBL1868978 0.81 MASP2 (0.44) MASP2KLKB1CHRNA7ABL1REN
SCHEMBL1874087 0.80 MASP2 (0.47) MASP2KLKB1KLK1CHRNA7METTL3
SCHEMBL1874086 0.80 MASP2 (0.47) MASP2KLKB1KLK1CHRNA7METTL3
SCHEMBL1870522 0.79 MASP2 (0.45) MASP2KLKB1KLK1CHRNA7METTL3
Hydrochloric Acid SCHEMBL1874541 0.79 MASP2 (0.46) MASP2KLKB1KLK1CHRNA7METTL3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011051672-A1 AZAINDOLE DERIVATIVES VANTIA LIMITED (GB) 2011-05-05 WO claimed
WO-2011051672-A1 AZAINDOLE DERIVATIVES VANTIA LIMITED (GB) 2011-05-05 WO disclosed
WO-2011051672-A1 AZAINDOLE DERIVATIVES VANTIA LIMITED (GB) 2011-05-05 WO disclosed