SCHEMBL31047142

SCHEMBL31047142

C=Cc1ccc(COc2ccc(I)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 16/20 0.71
▸ RXRA P19793 1/20 0.54
▸ RXRB P28702 1/20 0.54
▸ NPC1 O15118 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 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
SCHEMBL13242652 0.91 APP (0.54) APPNPC1CASP3RAB9ASMN1; SMN2
SCHEMBL6388039 0.91 APP (0.54) APPNPC1CASP3RAB9ASMN1; SMN2
SCHEMBL31453872 0.85 APP (0.48) APPNPC1CASP3RAB9ASMN1; SMN2
SCHEMBL18429785 0.84 APP (1.00) APPRXRARXRB
SCHEMBL2849932 0.84 APP (0.59) APPNPC1CASP3RAB9ASMN1; SMN2
SCHEMBL24742460 0.82 MAOB (0.61) APPNPC1RAB9A
SCHEMBL10226406 0.82 RXRA (0.54) APPRXRARXRBNPC1CASP3
SCHEMBL8621941 0.82 RAB9A (0.59) APPNPC1CASP3RAB9ASMN1; SMN2
SCHEMBL21244006 0.82 APP (0.61) APPNPC1RAB9ASMN1; SMN2
SCHEMBL13899704 0.82 NPC1 (0.64) APPNPC1CASP3RAB9ASMN1; SMN2

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
CN-118496409-A Caliper [3] acridine polymer and preparation method and application thereof 中国科学院化学研究所 2024-08-16 — — CN disclosed
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