SCHEMBL29664987

SCHEMBL29664987

Cc1ccc(CNc2nc(Cl)nc3c2ncn3C2CCCO2)o1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ YTHDC1 Q96MU7 1/20 0.61
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ PDE8B O95263 1/20 0.47
▸ FLT3 P36888 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ADORA3 P0DMS8 8/20 0.43
▸ ADORA1 P30542 5/20 0.43
▸ ADORA2A P29274 4/20 0.43

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
SCHEMBL18588084 1.00 YTHDC1 (0.61) YTHDC1NPC1RAB9ASMN1; SMN2PDE8B
SCHEMBL20547440 0.97 YTHDC1 (0.66) YTHDC1NPC1RAB9ASMN1; SMN2PDE8B
SCHEMBL29659514 0.97 YTHDC1 (0.66) YTHDC1NPC1RAB9ASMN1; SMN2PDE8B
SCHEMBL29664965 0.89 YTHDC1 (0.58) YTHDC1NPC1RAB9ASMN1; SMN2FLT3
SCHEMBL18587539 0.89 YTHDC1 (0.58) YTHDC1NPC1RAB9ASMN1; SMN2FLT3
SCHEMBL30411235 0.89 PDE8B (0.53) YTHDC1NPC1RAB9ASMN1; SMN2PDE8B
SCHEMBL20547447 0.87 NPC1 (0.46) YTHDC1NPC1RAB9ASMN1; SMN2PDE8B
SCHEMBL18587526 0.87 YTHDC1 (0.56) YTHDC1NPC1RAB9ASMN1; SMN2FLT3
SCHEMBL29659492 0.87 NPC1 (0.46) YTHDC1NPC1RAB9ASMN1; SMN2PDE8B
SCHEMBL30409865 0.86 NPC1 (0.51) YTHDC1NPC1RAB9ASMN1; SMN2PDE8B

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-3341371-B1 ADENINE DERIVATIVES AND THEIR USE AS UV-PHOTOPROTECTIVE AGENTS UNIV PALACKEHO (CZ) 2022-06-29 — — EP claimed
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