SCHEMBL11544899

SCHEMBL11544899

CCCCn1nc(C)c(CCCCCCOc2ccc(OC)cc2Cl)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 2/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
DYRK1A Q13627 1/20 0.38
CRHR1 P34998 2/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 2/20 0.36
TP53 P04637 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
NR1I2 O75469 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL11542597 0.96 S1PR4 (0.41) S1PR4SMN1; SMN2GLAHPGDMAPT
SCHEMBL11542454 0.91 S1PR4 (0.43) S1PR4SMN1; SMN2GLAHPGDMAPT
SCHEMBL11395938 0.87 TTR (0.47) S1PR4SMN1; SMN2HPGDMAPTTDP1
SCHEMBL11401738 0.87 TTR (0.47) S1PR4SMN1; SMN2HPGDMAPTTDP1
SCHEMBL8536773 0.77 SMN1; SMN2 (0.41) S1PR4SMN1; SMN2GLAMAPTTDP1
SCHEMBL11403559 0.77 S1PR4 (0.43) S1PR4SMN1; SMN2GLAHPGDMAPT
SCHEMBL11401714 0.77 S1PR4 (0.43) S1PR4SMN1; SMN2GLAHPGDMAPT
SCHEMBL8903264 0.76 MAPT (0.60) S1PR4SMN1; SMN2GLAHPGDMAPT
SCHEMBL11398754 0.75 S1PR4 (0.40) S1PR4HPGDMAPTTDP1L3MBTL1
SCHEMBL11401119 0.74 SMN1; SMN2 (0.62) SMN1; SMN2HPGDMAPTHTTLMNA

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
US-4171365-A Antiviral aryloxyalkylpyrazoles STERLING DRUG INC. (US) 1979-10-16 US claimed
US-4171365-A Antiviral aryloxyalkylpyrazoles STERLING DRUG INC. (US) 1979-10-16 US disclosed