SCHEMBL30454796

SCHEMBL30454796

CC(=NNC(=S)NNC(=S)N(C)C)c1ccccn1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 2/20 0.68
▸ SLC2A1 P11166 2/20 0.60
▸ HSP90AA1 P07900 5/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ OPRK1 P41145 2/20 0.58
▸ HTT P42858 2/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ PTBP1 P26599 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ HKDC1 Q2TB90 4/20 0.56
▸ LMNA P02545 2/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ AGTR1 P30556 2/20 0.49
▸ MITF O75030 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL29882877 0.89 TOP2A (0.67) TOP2ASLC2A1HSP90AA1SMN1; SMN2RAB9A
SCHEMBL29723632 0.89 TOP2A (0.67) TOP2ASLC2A1HSP90AA1SMN1; SMN2RAB9A
SCHEMBL5839502 0.89 TOP2A (0.67) TOP2ASLC2A1HSP90AA1SMN1; SMN2RAB9A
SCHEMBL17207742 0.89 TOP2A (0.67) TOP2ASLC2A1HSP90AA1SMN1; SMN2RAB9A
SCHEMBL17987719 0.81 TOP2A (1.00) TOP2ASLC2A1HSP90AA1SMN1; SMN2RAB9A
SCHEMBL29883013 0.81 TOP2A (1.00) TOP2ASLC2A1HSP90AA1SMN1; SMN2RAB9A
SCHEMBL9321802 0.81 TOP2A (1.00) TOP2ASLC2A1HSP90AA1SMN1; SMN2RAB9A
SCHEMBL9120443 0.81 TOP2A (0.60) TOP2ASLC2A1HSP90AA1SMN1; SMN2RAB9A
SCHEMBL22056136 0.80 TOP2A (0.76) TOP2ASLC2A1HSP90AA1SMN1; SMN2RAB9A
SCHEMBL9123460 0.79 AGTR1 (0.62) TOP2ASLC2A1SMN1; SMN2RAB9AOPRK1

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-3836934-B1 PHASE STABLE TOPICAL COMPOSITION COMPRISING ACYCLOVIR AND HYDROCORTISONE ILKO ILAC SANAYI VE TICARET ANONIM SIRKETI (TR) 2023-06-21 — — EP disclosed
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