SCHEMBL21708968

SCHEMBL21708968

C=C(C)NC(=C)c1sc2ccccc2c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.50
PRNP P04156 1/20 0.50
HSD11B1 P28845 1/20 0.43
LIMK1 P53667 1/20 0.42
MAPK1 P28482 3/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 9/20 0.39
MEN1 O00255 8/20 0.39
KMT2A Q03164 8/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
RAB9A P51151 6/20 0.39
NPC1 O15118 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 4/20 0.39
GAA P10253 2/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL21507605 0.81 PRNP (0.53) RXFP1PRNPHSD11B1LIMK1MAPK1
SCHEMBL9111915 0.78 RXFP1 (0.53) RXFP1PRNPHSD11B1LIMK1MAPK1
SCHEMBL27365531 0.77 RXFP1 (0.47) RXFP1PRNPHSD11B1LIMK1MAPK1
SCHEMBL2300339 0.74 PRNP (0.53) RXFP1PRNPHSD11B1LIMK1MAPK1
SCHEMBL2300336 0.74 PRNP (0.53) RXFP1PRNPHSD11B1LIMK1MAPK1
SCHEMBL2610250 0.74 RXFP1 (0.61) RXFP1PRNPHSD11B1LIMK1MAPK1
SCHEMBL18647575 0.73 PRNP (0.51) RXFP1PRNPHSD11B1LIMK1MAPK1
SCHEMBL16598796 0.72 RXFP1 (0.73) RXFP1PRNPHSD11B1LIMK1MAPK1
SCHEMBL9565157 0.71 PRNP (0.50) RXFP1PRNPHSD11B1LIMK1MAPK1
SCHEMBL9565158 0.71 PRNP (0.50) RXFP1PRNPHSD11B1LIMK1MAPK1

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-2020032447-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING, AS HOST MATERIAL, MIXTURE OF DIFFERENT KINDS OF COMPOUNDS, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2020-02-13 WO disclosed
WO-2020032424-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING, AS HOST MATERIAL, MIXTURE OF DIFFERENT KINDS OF COMPOUNDS, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2020-02-13 WO disclosed