SCHEMBL13680338

SCHEMBL13680338

CC(C)c1ccc(N2C=CCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
MGLL Q99685 1/20 0.40
HRH3 Q9Y5N1 1/20 0.38
NOTUM Q6P988 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MCOLN3 Q8TDD5 1/20 0.36
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 1/20 0.35
NPC1 O15118 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
SCHEMBL28380433 0.83 LMNA (0.31) L3MBTL1NPSR1LMNAMAPTTDP1
SCHEMBL296284 0.78 MAPT (0.46) L3MBTL1NPSR1MGLLMEN1KMT2A
Hydrochloric Acid SCHEMBL34870 0.76 MAPT (0.44) L3MBTL1NPSR1MGLLMEN1KMT2A
SCHEMBL18596315 0.76 MAPT (0.46) L3MBTL1HPGDMGLLHRH3NOTUM
SCHEMBL5352313 0.73 MAPT (0.42) L3MBTL1HPGDNPSR1NOTUMMEN1
SCHEMBL20251137 0.70 MAPT (0.51) L3MBTL1HPGDMGLLHRH3MEN1
SCHEMBL4792425 0.69 MGLL (0.47) L3MBTL1HPGDNPSR1MGLLHRH3
SCHEMBL13969813 0.68 NOTUM (0.50) L3MBTL1HPGDNPSR1MGLLNOTUM
SCHEMBL16786535 0.67 MGLL (0.45) L3MBTL1HPGDNPSR1MGLLNOTUM
SCHEMBL277165 0.67 ALDH1A1 (0.54) L3MBTL1HPGDNPSR1MGLLHRH3

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-7582770-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-01 US disclosed