SCHEMBL28836945

SCHEMBL28836945

CC(=O)Nc1cccc2ccc(N=Nc3ccccc3)c(O)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.53
▸ NPC1 O15118 7/20 0.53
▸ HTT P42858 1/20 0.53
▸ RAB9A P51151 7/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ HPGD P15428 4/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ LMNA P02545 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ THRB P10828 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39

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
SCHEMBL21433102 0.86 ALDH1A1 (0.49) MAPTNPC1HTTRAB9ASMN1; SMN2
SCHEMBL16624634 0.86 NPC1 (0.50) MAPTNPC1HTTRAB9AHPGD
SCHEMBL3201580 0.85 ALDH1A1 (0.48) MAPTNPC1HTTRAB9ASMN1; SMN2
SCHEMBL8170889 0.83 MAPT (0.48) MAPTNPC1HTTRAB9ASMN1; SMN2
SCHEMBL3201672 0.79 CASP6 (0.54) MAPTHPGDALDH1A1KDM4EMEN1
SCHEMBL27881452 0.78 MAPT (0.55) MAPTNPC1HTTRAB9ASMN1; SMN2
SCHEMBL27973104 0.78 MAPT (0.66) MAPTNPC1HTTRAB9ASMN1; SMN2
SCHEMBL28287460 0.78 MAPT (0.66) MAPTNPC1HTTRAB9ASMN1; SMN2
SCHEMBL23346314 0.77 UQCRB (0.53) MAPTHTTHPGDALDH1A1KDM4E
SCHEMBL16220662 0.77 PRMT3 (0.60) MAPTNPC1HTTRAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114032215-B Hybridoma cell strain secreting red 2G monoclonal antibody and application thereof 江南大学 2022-05-17 — — CN disclosed
CN-114032215-A Hybridoma cell strain secreting red 2G monoclonal antibody and application thereof 江南大学 2022-02-11 — — CN disclosed
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