SCHEMBL29141658

SCHEMBL29141658

CCCCCOc1ccc(NNc2ncnc3nc[nH]c23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.56
▸ RAB9A P51151 8/20 0.56
▸ HPGD P15428 4/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ MAPT P10636 4/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ BRD4 O60885 3/20 0.53
▸ HTT P42858 5/20 0.51
▸ TP53 P04637 3/20 0.51
▸ LMNA P02545 5/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ MKNK1 Q9BUB5 2/20 0.45
▸ PAK1 Q13153 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ GFER P55789 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL29141655 0.84 NPC1 (0.74) NPC1RAB9AHPGDSMN1; SMN2KDM4E
SCHEMBL4937110 0.82 PRMT1 (0.66) NPC1RAB9AHPGDSMN1; SMN2KDM4E
SCHEMBL29141649 0.82 BRD4 (0.62) NPC1RAB9AHPGDSMN1; SMN2MAPT
SCHEMBL4921039 0.81 PRMT1 (0.65) NPC1RAB9AHPGDSMN1; SMN2KDM4E
SCHEMBL4921306 0.81 PRMT1 (0.65) NPC1RAB9AHPGDSMN1; SMN2KDM4E
SCHEMBL4922895 0.80 PRMT1 (0.69) NPC1RAB9AHPGDSMN1; SMN2KDM4E
SCHEMBL29501954 0.75 LMNA (0.60) NPC1RAB9AHPGDSMN1; SMN2MAPT
SCHEMBL4922851 0.75 PRMT1 (0.69) NPC1RAB9AHPGDSMN1; SMN2MAPT
SCHEMBL29141673 0.73 HTT (0.58) NPC1RAB9AHPGDSMN1; SMN2KDM4E
SCHEMBL3806903 0.72 HTT (0.80) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1

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-117430609-B Purine derivative compound, preparation method and application thereof 东北农业大学 2024-05-24 — — CN disclosed
CN-117430609-A Purine derivative compound, preparation method and application thereof 东北农业大学 2024-01-23 — — CN disclosed
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