SCHEMBL8526126

SCHEMBL8526126

CCC(C(N)=O)c1c(C)[nH]c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 4/20 0.47
GAA P10253 2/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
KMT2A Q03164 5/20 0.46
LMNA P02545 2/20 0.46
MITF O75030 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
VDR P11473 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM1A O60341 1/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 4/20 0.43
USP2 O75604 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NR4A2 P43354 1/20 0.43
TSHR P16473 2/20 0.42

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
SCHEMBL29402885 0.82 EGFR (0.42) MAPTALDH1A1KDM4EGAACASP1
SCHEMBL9643682 0.77 MAPT (0.54) MAPTALDH1A1KDM4EGAACASP1
SCHEMBL10895225 0.76 MAPT (0.52) MAPTALDH1A1KDM4EGAACASP1
SCHEMBL21870870 0.76 MAPT (0.47) MAPTALDH1A1KDM4EGAACASP1
SCHEMBL20556024 0.76 MAPT (0.47) MAPTALDH1A1KDM4EGAACASP1
SCHEMBL9541704 0.76 VDR (0.53) MAPTALDH1A1KDM4EGAAKMT2A
SCHEMBL6102218 0.75 MAPT (0.49) MAPTALDH1A1KDM4EGAACASP1
SCHEMBL30513824 0.75 MAPT (0.44) MAPTALDH1A1KDM4EGAACASP1
SCHEMBL21397382 0.74 VDR (0.55) MAPTALDH1A1KDM4EGAAKMT2A
SCHEMBL21870867 0.74 MAPT (0.45) MAPTALDH1A1KDM4EGAACASP1

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
EP-0652212-B1 Substituted fluorine-containing beta-indolebutyric acid derivatives, their preparation and their use as plant growth regulators AGENCY IND SCIENCE TECHN (JP) 1998-03-11 EP claimed
CN-113943244-B Sulfur-containing gamma, gamma-diindolylbutyramide compounds prepared by difunctional reactions 温州大学 2023-05-23 CN disclosed