SCHEMBL18436182

SCHEMBL18436182

COC(C)CNc1ccc(N2C[C@H](C)C[C@@H](C)C2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.36
MAPT P10636 7/20 0.36
MAPK1 P28482 6/20 0.36
L3MBTL1 Q9Y468 6/20 0.36
KDM4E B2RXH2 6/20 0.36
GAA P10253 5/20 0.36
ALDH1A1 P00352 5/20 0.36
TDP1 Q9NUW8 5/20 0.36
ALOX15 P16050 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALOX12 P18054 2/20 0.33
RAB9A P51151 1/20 0.33
CTSL P07711 3/20 0.33
CTSB P07858 3/20 0.33
CTSK P43235 3/20 0.33
HTT P42858 2/20 0.33
TSHR P16473 1/20 0.33
PGAM1 P18669 1/20 0.32
LMNA P02545 1/20 0.32
ACACB O00763 1/20 0.32

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
SCHEMBL18436159 0.85 MAPT (0.51) MAPTMAPK1L3MBTL1KDM4EGAA
SCHEMBL7731838 0.76 MAPT (0.41) POLBMAPTMAPK1L3MBTL1GAA
SCHEMBL13105502 0.72 POLB (0.45) POLBMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL13105218 0.72 POLB (0.45) POLBMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL11935557 0.69 POLB (0.36) POLBMAPT
SCHEMBL11936069 0.69 GAA (0.47) POLBMAPTMAPK1L3MBTL1KDM4E
SCHEMBL11940094 0.69 POLB (0.36) POLBMAPT
SCHEMBL13105592 0.69 GAA (0.47) POLBMAPTMAPK1L3MBTL1KDM4E
SCHEMBL11940092 0.69 POLB (0.36) POLBMAPT
SCHEMBL11935568 0.69 POLB (0.36) POLBMAPT

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-3124482-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-02-01 EP disclosed