SCHEMBL3971582

SCHEMBL3971582

CCC(CC)(CO)Nc1nc2c(s1)CCc1cc(C#N)ccc1-2.N#Cc1ccc2c(c1)CCC(Br)C2=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TP53 P04637 3/20 0.35
LMNA P02545 1/20 0.35
ALOX5 P09917 2/20 0.35
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
MEN1 O00255 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.34
DYRK1A Q13627 1/20 0.33
RAB9A P51151 1/20 0.33
XIAP P98170 1/20 0.32
PTGES O14684 1/20 0.31

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
SCHEMBL4484753 0.89 MAPT (0.40) MAPTSMN1; SMN2TP53LMNAALOX5
SCHEMBL4090064 0.78 PIK3CD (0.34) MAPTSMN1; SMN2TP53LMNAALOX5
SCHEMBL4075677 0.78 MAPT (0.41) MAPTSMN1; SMN2TP53LMNAALOX5
SCHEMBL2718592 0.72 CYP19A1 (0.39)
Bromide SCHEMBL3979336 0.71 CYP19A1 (0.39)
SCHEMBL9096104 0.63 HTR2A (0.39) MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL4076372 0.61 PIK3CD (0.37) MAPTSMN1; SMN2TP53KMT2AALDH1A1
SCHEMBL23792237 0.61 CYP11B2 (0.47)
SCHEMBL2730840 0.60 HTR2A (0.47) MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL4073483 0.59 PIK3CD (0.46) MAPTSMN1; SMN2TP53LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054410-A2 OXAZOLIDONE DERIVATIVES AS PR MODULATORS Wyeth (US) 2009-05-06 EP disclosed
WO-2008021331-A2 OXAZOLIDONE DERIVATIVES AS PR MODULATORS WYETH (US) 2008-02-21 WO disclosed