SCHEMBL28704401

SCHEMBL28704401

COc1ccc(N2CCN(CN(CN3CCN(c4ccc(OC)cc4)CC3)S(=O)(=O)c3ccccc3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 6/20 0.60
▸ HTR2A P28223 4/20 0.60
▸ HTR2C P28335 4/20 0.60
▸ MAPT P10636 1/20 0.55
▸ GFER P55789 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ CNR1 P21554 1/20 0.54
▸ CNR2 P34972 1/20 0.54
▸ KMT2A Q03164 2/20 0.53
▸ HTR1A P08908 1/20 0.52
▸ LMNA P02545 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ DRD2 P14416 1/20 0.50

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
SCHEMBL28712272 0.87 HTR7 (0.51) HTR7HTR2AHTR2CMAPTCNR1
SCHEMBL28704386 0.81 LMNA (0.47) HTR7HTR2AHTR2CALDH1A1CNR2
SCHEMBL6153220 0.74 ALDH1A1 (0.66) MAPTALDH1A1PKMKMT2AHTR1A
SCHEMBL28713850 0.74 MEN1 (0.56) ALDH1A1PKMKMT2ATSHRSMN1; SMN2
SCHEMBL18118188 0.73 CNR1 (0.67) MAPTPKMCNR1CNR2LMNA
SCHEMBL11923385 0.73 SIGMAR1 (0.79) MAPTALDH1A1PKMKMT2ALMNA
SCHEMBL28704400 0.72 ALDH1A1 (0.56) MAPTGFERALDH1A1PKMLMNA
Hydrochloric Acid SCHEMBL11213408 0.72 SIGMAR1 (0.77) MAPTALDH1A1KMT2ALMNATSHR
SCHEMBL28700710 0.72 ACHE (0.49) HTR7HTR2AHTR2CALDH1A1KMT2A
SCHEMBL11661144 0.71 HTR1A (0.59) HTR7HTR2AHTR2CALDH1A1KMT2A

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-114163401-A Preparation method and application of N-benzenesulfonyl formamidine compound 商丘师范学院 2022-03-11 — — CN disclosed
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