SCHEMBL27809227

SCHEMBL27809227

Clc1nc(NCc2cccc(Br)c2)c2ncn(C3CCCO3)c2n1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 9/20 0.67
▸ ADORA2A P29274 6/20 0.67
▸ ADORA1 P30542 5/20 0.67
▸ PPARD Q03181 6/20 0.58
▸ PPARG P37231 5/20 0.58
▸ YTHDC1 Q96MU7 1/20 0.56
▸ NPC1 O15118 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL448537 0.89 ADORA3 (0.67) ADORA3ADORA2AADORA1PPARDPPARG
SCHEMBL30411668 0.89 NPC1 (0.55) ADORA3ADORA2AADORA1PPARDPPARG
SCHEMBL20547189 0.89 ADORA3 (0.57) ADORA3ADORA2AADORA1PPARDPPARG
SCHEMBL20547426 0.89 NPC1 (0.68) ADORA3ADORA2AADORA1YTHDC1NPC1
SCHEMBL30411200 0.86 NPC1 (0.58) ADORA3ADORA2AADORA1YTHDC1NPC1
SCHEMBL20547489 0.86 YTHDC1 (0.61) ADORA3ADORA2AADORA1PPARDPPARG
SCHEMBL1501479 0.86 NPC1 (0.73) ADORA3ADORA2AADORA1YTHDC1NPC1
SCHEMBL29659561 0.86 NPC1 (0.73) ADORA3ADORA2AADORA1YTHDC1NPC1
SCHEMBL21967859 0.84 YTHDC1 (0.59) ADORA3ADORA2AADORA1YTHDC1NPC1
SCHEMBL20547488 0.83 YTHDC1 (0.60) ADORA3ADORA2AADORA1YTHDC1NPC1

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
CN-101801970-A Adenosine derivatives, method for synthesizing the same, and pharmaceutical composition for preventing and treating inflammatory diseases comprising the same as an active ingredient FM THERAPEUTICS CO LTD 2010-08-11 — — CN claimed
CN-101801970-A Adenosine derivatives, method for synthesizing the same, and pharmaceutical composition for preventing and treating inflammatory diseases comprising the same as an active ingredient FM THERAPEUTICS CO LTD 2010-08-11 — — CN disclosed
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