SCHEMBL29056145

SCHEMBL29056145

O=C1c2ccccc2C2(c3cc(-c4ccccc4)ccc31)c1ccccc1-c1ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ APAF1 O14727 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ THRB P10828 1/20 0.53
▸ XBP1 P17861 1/20 0.53
▸ PTBP1 P26599 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ GALK1 P51570 1/20 0.53
▸ BLM P54132 1/20 0.53
▸ SMAD3 P84022 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ ATM Q13315 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ PDK2 Q15119 12/20 0.51
▸ MAOB P27338 3/20 0.47

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
SCHEMBL30501013 1.00 NPC1 (0.53) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL10057965 1.00 NPC1 (0.53) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL10057971 0.97 MEN1 (0.50) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL10057685 0.97 NPC1 (0.50) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL10057964 0.97 MEN1 (0.50) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL10057974 0.95 MEN1 (0.49) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL10057532 0.95 MEN1 (0.53) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL10057531 0.92 MEN1 (0.50) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL10057533 0.92 MEN1 (0.50) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL10057536 0.92 MEN1 (0.50) NPC1MAPTRAB9ASMN1; SMN2MEN1

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-116462579-B Preparation method of spirofluorene anthrone compound 大连理工大学 2024-04-05 — — CN disclosed
CN-116462579-A Preparation method of spirofluorene anthrone compound 大连理工大学 2023-07-21 — — CN disclosed
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