SCHEMBL20034286

SCHEMBL20034286

CC(=O)N1C(C)CN(c2ccc(C(C)C)cc2)CC1C(C)(C)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 2/20 0.37
HTT P42858 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ACACB O00763 9/20 0.37
ALDH1A1 P00352 4/20 0.36
PANK3 Q9H999 2/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2D6 P10635 1/20 0.33

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
SCHEMBL25839430 0.87 L3MBTL1 (0.43) LMNAL3MBTL1MAPTMAPK1SMN1; SMN2
SCHEMBL19012592 0.86 GPR119 (0.37) LMNAMAPTSMN1; SMN2TSHRKDM4E
SCHEMBL18436356 0.85 USP2 (0.41) MAPTMAPK1SMN1; SMN2ALOX12ALDH1A1
SCHEMBL19012741 0.85 ACACB (0.41) LMNAL3MBTL1MAPTMAPK1HTT
SCHEMBL19012736 0.82 MAPT (0.39) LMNAL3MBTL1MAPTMAPK1SMN1; SMN2
SCHEMBL19012720 0.82 L3MBTL1 (0.39) LMNAL3MBTL1MAPTMAPK1SMN1; SMN2
SCHEMBL19012400 0.75 SMO (0.44) LMNAMAPTSMN1; SMN2HTTKDM4E
SCHEMBL19012461 0.75 ACACB (0.41) LMNAL3MBTL1MAPTMAPK1SMN1; SMN2
SCHEMBL19012457 0.73 GAA (0.44) LMNAMAPTKDM4EGAAALOX15
SCHEMBL19012646 0.73 ACACB (0.45) LMNAMAPTMAPK1SMN1; SMN2HTT

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
US-9938292-B2 Quinoline derivatives as SMO inhibitors GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-04-10 US disclosed