SCHEMBL20376232

SCHEMBL20376232

Fc1ccc(S)cc1NCC1CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIPC P11150 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
PTGER4 P35408 4/20 0.36
BACE1 P56817 2/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
SOS1 Q07889 2/20 0.36
CNR2 P34972 3/20 0.35
CNR1 P21554 2/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM1A O60341 1/20 0.33
UTS2R Q9UKP6 1/20 0.33
KHK P50053 1/20 0.32
MAPK14 Q16539 1/20 0.32
IDH1 O75874 1/20 0.31
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31

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
SCHEMBL12327196 0.79 GLA (0.43) LIPCLIPGPTGER4BACE1BACE2
SCHEMBL739595 0.76 NPC1 (0.43) SOS1CNR2CNR1KDM4C
SCHEMBL21324939 0.76 LIPC (0.45) LIPCLIPGPTGER4BACE1BACE2
SCHEMBL21536701 0.76 BACE1 (0.37) LIPCLIPGPTGER4BACE1BACE2
SCHEMBL20376206 0.74 CYP3A4 (0.36)
SCHEMBL20376237 0.71 IDO1 (0.35) KDM4C
SCHEMBL25039614 0.70 TRPV4 (0.43)
SCHEMBL21695734 0.70 CNR2 (0.49) CNR2KDM1AMAPK14
SCHEMBL17064891 0.69 KLKB1 (0.50) SOS1
SCHEMBL17073530 0.69 KLKB1 (0.50) SOS1

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-2018128720-A1 URACIL CONTAINING COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-07-12 WO disclosed