SCHEMBL22246763

SCHEMBL22246763

CCCCNc1ccc(C(=O)Nc2ccn(-c3ccccc3)n2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.63
▸ MAPT P10636 5/20 0.58
▸ ALDH1A1 P00352 4/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ HTT P42858 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ TSHR P16473 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.52
▸ HPGD P15428 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ ELOVL1 Q9BW60 8/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ CACNA1G O43497 1/20 0.45
▸ CACNA1H O95180 1/20 0.45
▸ CACNA1I Q9P0X4 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ CHRNB2 P17787 1/20 0.44
▸ CHRNB4 P30926 1/20 0.44
▸ CHRNA3 P32297 1/20 0.44

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
SCHEMBL23719191 0.88 MAPT (0.54) LMNAMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL22828578 0.84 LMNA (0.66) LMNAMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL22246858 0.77 LMNA (0.74) LMNAMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL10616565 0.75 MAPT (0.50) LMNAMAPTHTTHSD17B10TSHR
SCHEMBL22828685 0.74 MAPT (0.54) MAPTHTTHSD17B10TSHRL3MBTL1
SCHEMBL23719149 0.71 MAPK10 (0.51) MAPTALDH1A1HTTRAB9A
SCHEMBL3307413 0.71 ALDH1A1 (0.63) LMNAMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL10764251 0.69 SCN5A (0.56) LMNAMAPTALDH1A1L3MBTL1KDM4E
SCHEMBL14880165 0.69 SCN5A (0.56) LMNAKDM4ERAB9A
SCHEMBL13494653 0.69 L3MBTL1 (0.61) LMNAALDH1A1SMN1; SMN2HTTTSHR

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-2020150417-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-07-23 — — WO disclosed
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