SCHEMBL3169097

SCHEMBL3169097

CC(=O)NCCNc1cc(N2CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)nc(-c2ccc(Cl)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
MGLL Q99685 5/20 0.42
GBA1 P04062 1/20 0.40
TP53 P04637 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 2/20 0.39
SLC6A7 Q99884 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
AURKA O14965 1/20 0.36
USP2 O75604 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36

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
SCHEMBL3164704 0.88 GBA1 (0.42) SMN1; SMN2LMNAMAPTKDM4EALDH1A1
SCHEMBL3174398 0.85 GBA1 (0.48) SMN1; SMN2LMNAMAPTKDM4EALDH1A1
SCHEMBL3164315 0.84 GBA1 (0.50) SMN1; SMN2LMNAMAPTKDM4EALDH1A1
SCHEMBL3174564 0.84 GBA1 (0.50) SMN1; SMN2LMNAALDH1A1MGLLGBA1
SCHEMBL3156444 0.84 GBA1 (0.46) SMN1; SMN2LMNAMAPTKDM4EALDH1A1
SCHEMBL3164890 0.84 AKR1C3 (0.47) SMN1; SMN2MAPTKDM4EALDH1A1GBA1
SCHEMBL3172676 0.83 GBA1 (0.43) SMN1; SMN2LMNAMAPTKDM4EALDH1A1
SCHEMBL3165387 0.83 GBA1 (0.45) SMN1; SMN2LMNAMAPTKDM4EALDH1A1
SCHEMBL3155558 0.83 SLC6A7 (0.47) SMN1; SMN2LMNAMAPTKDM4EALDH1A1
SCHEMBL3155990 0.83 L3MBTL1 (0.50) SMN1; SMN2LMNAPOLBMEN1KMT2A

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-1465631-B1 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARM INC (US) 2010-02-24 EP disclosed