SCHEMBL3359208

SCHEMBL3359208

C=CCc1ccccc1C(ON=C(C(=O)O)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1)(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.36
MAPT P10636 4/20 0.36
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
RECQL P46063 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.31
HPGD P15428 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
HTT P42858 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
SCHEMBL2455167 0.89 MAPT (0.40) GAAMAPTLMNATDP1MEN1
SCHEMBL2450269 0.85 MAPT (0.45) GAAMAPTLMNATDP1MEN1
SCHEMBL2450267 0.85 MAPT (0.45) GAAMAPTLMNATDP1MEN1
SCHEMBL7764698 0.85 MAPT (0.45) GAAMAPTLMNATDP1MEN1
SCHEMBL9804837 0.84 MAPT (0.44) GAAMAPTLMNATDP1MEN1
SCHEMBL9231233 0.84 MAPT (0.44) GAAMAPTLMNATDP1MEN1
SCHEMBL9231227 0.84 MAPT (0.44) GAAMAPTLMNATDP1MEN1
SCHEMBL3359354 0.83 KDM4E (0.30)
SCHEMBL3360671 0.81 SCD (0.31)
SCHEMBL9021277 0.80 MAPT (0.41) GAAMAPTLMNATDP1MEN1

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-2010030811-A2 CARBACEPHEM β-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-03-18 WO disclosed