SCHEMBL20405685

SCHEMBL20405685

C=C(/N=C(\OC)c1nnn(-c2ccccc2F)c1CCOC)c1cccnc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TP53 P04637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 3/20 0.34
KCNN4 O15554 2/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CCKBR P32239 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
MET P08581 1/20 0.32
SCN9A Q15858 1/20 0.32

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
SCHEMBL13765531 0.83 IDH1 (0.35) HPGDL3MBTL1TSHRSMN1; SMN2TP53
SCHEMBL20405705 0.81 NPSR1 (0.35) TSHRSMN1; SMN2LMNAKCNN4NPC1
SCHEMBL20405679 0.75 KCNN4 (0.32) TSHRSMN1; SMN2LMNAKCNN4NPSR1
SCHEMBL3456050 0.73 KCNN4 (0.42) SMN1; SMN2TP53KCNN4NPSR1MET
SCHEMBL3766923 0.69 PPARA (0.44) HPGDTSHRSMN1; SMN2TP53HSD17B10
SCHEMBL20405823 0.68 KCNN4 (0.42) TSHRKCNN4SCN9A
SCHEMBL13765502 0.68 KCNN4 (0.33) SMN1; SMN2LMNAKCNN4KMT2AMEN1
SCHEMBL1423244 0.67 REN (0.40) SMN1; SMN2LMNAKCNN4NPSR1KMT2A
SCHEMBL10180279 0.63 RAB9A (0.46) SMN1; SMN2TP53HSD17B10LMNANPC1
SCHEMBL28034285 0.62 REN (0.39) SMN1; SMN2LMNAKCNN4NPSR1KMT2A

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
EP-2250165-B1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2018-07-25 EP disclosed