SCHEMBL20865014

SCHEMBL20865014

C=CCCC(C)c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.42
GOPC Q9HD26 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP19A1 P11511 1/20 0.38
GAA P10253 1/20 0.37
TBXAS1 P24557 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
AGTR2 P50052 1/20 0.37

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
SCHEMBL8775873 0.80 TBXAS1 (0.52) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL9717892 0.80 SMN1; SMN2 (0.47) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL9718025 0.80 CFTR (0.42) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL20098043 0.79 CFTR (0.57) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL21770565 0.79 CFTR (0.47) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL23689571 0.79 CFTR (0.47) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL11337414 0.79 CFTR (0.47) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL24919838 0.79 CFTR (0.47) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL4636038 0.78 RIPK1 (0.52)
SCHEMBL2420685 0.77 SMN1; SMN2 (0.47) CFTRGOPCSLC6A2SLC6A4SLC6A3

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-2019067224-A1 METHODS OF TREATING APOPTOSIS AND ALTERING PROGRAMMED CELL DEATH MYMD PHARMACEUTICALS, INC. (US) 2019-04-04 WO disclosed