SCHEMBL11468314

SCHEMBL11468314

CCCOc1ccc(-c2nnc(SC(C)C(C)C)nc2-c2ccc(OCCC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 3/20 0.45
▸ RAB9A P51151 7/20 0.42
▸ SMN1; SMN2 Q16637 6/20 0.42
▸ NPC1 O15118 6/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ TP53 P04637 6/20 0.41
▸ MAPT P10636 6/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HPGD P15428 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ ACACB O00763 1/20 0.38
▸ ACACA Q13085 1/20 0.38

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
SCHEMBL11485886 0.90 PTGES (0.47) PTGESRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL11232062 0.82 NPSR1 (0.55) PTGESRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL11469057 0.81 PTGES (0.55) PTGESRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL11483239 0.80 PTGES (0.61) PTGESRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL11467226 0.80 NPSR1 (0.47) PTGESRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL11466969 0.79 MAPT (0.54) PTGESRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL11466676 0.77 PTGES (0.40) PTGESNPC1TP53MAPTLMNA
SCHEMBL11865062 0.76 RAB9A (0.46) RAB9ASMN1; SMN2NPC1KDM4EL3MBTL1
SCHEMBL11483171 0.75 RAB9A (0.49) RAB9ASMN1; SMN2NPC1KDM4EL3MBTL1
SCHEMBL11468034 0.74 RAB9A (0.41) RAB9ASMN1; SMN2NPC1KDM4EL3MBTL1

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-4190725-A ANTIINFLAMMATORY ELI LILLY AND COMPANY (US) 1980-02-26 — — US disclosed
US-4021553-A 5,6-Diaryl-1,2,4-triazines as topically-active anti-inflammatory agents ELI LILLY AND COMPANY (US) 1977-05-03 — — US disclosed
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