SCHEMBL6170975

SCHEMBL6170975

CN(C)C(=O)c1onc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 4/20 0.42
TP53 P04637 4/20 0.42
CYP3A4 P08684 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HIF1A Q16665 2/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GLA P06280 1/20 0.41
POLB P06746 2/20 0.40
CYP1A2 P05177 3/20 0.40
USP2 O75604 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP2C9 P11712 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL14831687 0.84 PTGS2 (0.38) RAB9ASMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL7734837 0.80 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1KDM4ETP53MEN1
SCHEMBL570621 0.78 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1KDM4ETP53MEN1
SCHEMBL6168967 0.78 ALDH1A1 (0.43) RAB9ASMN1; SMN2ALDH1A1KDM4ETP53
SCHEMBL1756651 0.77 RBP4 (0.41) SMN1; SMN2ALDH1A1KDM4ETP53MEN1
SCHEMBL4129795 0.77 RBP4 (0.41) SMN1; SMN2ALDH1A1KDM4ETP53MEN1
SCHEMBL4602617 0.77 LCK (0.47) RAB9ASMN1; SMN2ALDH1A1KDM4ETP53
SCHEMBL17321380 0.76 ELANE (0.40) ALDH1A1KDM4ETP53MEN1KMT2A
SCHEMBL8880128 0.76 RBP4 (0.39) RAB9ASMN1; SMN2ALDH1A1KDM4ETP53
SCHEMBL18703328 0.76 IP6K1 (0.50) RAB9AALDH1A1KDM4EMEN1KMT2A

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-1531812-A1 FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRISTIS SMITHKLINE BEECHAM CORPORATION (US) 2005-05-25 EP disclosed
WO-2004010995-A1 FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRISTIS SMITHKLINE BEECHAM CORPORATION (US) 2004-02-05 WO disclosed