SCHEMBL21063501

SCHEMBL21063501

O=S(=O)(O)CCC1CNC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
PTGS1 P23219 1/20 0.35
PDE4A P27815 1/20 0.35
SLC6A6 P31641 1/20 0.35
CYP2C19 P33261 1/20 0.35
BLM P54132 1/20 0.35
APP P05067 1/20 0.32
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
F2R P25116 1/20 0.31
GABRA5 P31644 3/20 0.30
SLC6A1 P30531 2/20 0.30
GABRB2 P47870 2/20 0.30
SLC6A12 P48065 2/20 0.30
SLC6A11 P48066 2/20 0.30
SLC6A13 Q9NSD5 2/20 0.30
GABRA1 P14867 2/20 0.30
GABRR1 P24046 1/20 0.30
GABRA4 P48169 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL30605554 0.86 APP (0.39) LMNAPTGS1PDE4ASLC6A6CYP2C19
SCHEMBL10511006 0.81 LMNA (0.35) LMNAPTGS1PDE4ASLC6A6CYP2C19
SCHEMBL2169002 0.77 GABRA5 (0.46) LMNAITGB3ITGA2BF2RGABRA5
SCHEMBL8078390 0.77
SCHEMBL24393115 0.76 APLNR (0.30)
Hydrochloric Acid SCHEMBL29891111 0.76 GABRA5 (0.45) LMNAITGB3ITGA2BF2RGABRA5
SCHEMBL27891333 0.75
Hydrochloric Acid SCHEMBL6199423 0.73 INPP5A (0.48) LMNAGABRA5SLC6A1GABRB2SLC6A12
SCHEMBL9320849 0.73 PTGS1 (0.36) LMNAPTGS1PDE4ASLC6A6CYP2C19
SCHEMBL4072061 0.73 ALDH1A1 (0.37) LMNAPTGS1PDE4ASLC6A6CYP2C19

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019118612-A1 TARGETING COMPOUNDS ZAFGEN, INC. (US) 2019-06-20 WO disclosed
WO-2019118612-A1 TARGETING COMPOUNDS ZAFGEN, INC. (US) 2019-06-20 WO disclosed