SCHEMBL20352113

SCHEMBL20352113

CSc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1NC(=O)c1cocn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ MAPT P10636 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ BACE1 P56817 1/20 0.43
▸ MAPK8 P45983 1/20 0.42
▸ ALK Q9UM73 3/20 0.42
▸ GPR119 Q8TDV5 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ SRPK1 Q96SB4 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ CCNK O75909 1/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ CCND3 P30281 1/20 0.41
▸ CDK9 P50750 1/20 0.41

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
SCHEMBL20352111 0.84 SMN1; SMN2 (0.47) SMN1; SMN2MAPTMEN1KMT2ATSHR
SCHEMBL21571652 0.72 MAPT (0.54) SMN1; SMN2MAPTMEN1KMT2ATSHR
SCHEMBL24220513 0.72 HDAC3 (0.48) SMN1; SMN2MAPTHTTSRPK1CYP2C19
SCHEMBL20352125 0.72 BACE1 (0.48) SMN1; SMN2MAPTMEN1KMT2ATSHR
SCHEMBL21571629 0.72 PAICS (0.48) MEN1KMT2A
SCHEMBL20352114 0.71 PAICS (0.56) SMN1; SMN2MAPTHTT
SCHEMBL5458260 0.70 NAMPT (0.61) SMN1; SMN2MAPTMEN1KMT2ATSHR
SCHEMBL458534 0.70 MAPT (0.58) SMN1; SMN2MAPTMEN1KMT2ATSHR
SCHEMBL15936529 0.70 HDAC1 (0.68) SMN1; SMN2MAPTMEN1KMT2ATSHR
SCHEMBL6745021 0.69 PDK2 (0.50) SMN1; SMN2MAPTMEN1KMT2ATSHR

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-2018122549-A1 OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER LIFEARC (GB) 2018-07-05 — — WO disclosed
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