SCHEMBL31301044

SCHEMBL31301044

Fc1ccc2ccc3ncccc3c2n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.67
KDM4E B2RXH2 5/20 0.54
MAPT P10636 3/20 0.54
CYP3A4 P08684 2/20 0.53
HSP90AA1 P07900 2/20 0.43
HTT P42858 2/20 0.43
HIF1A Q16665 2/20 0.43
CCR1 P32246 2/20 0.43
CCR5 P51681 2/20 0.43
CCR8 P51685 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GMNN O75496 1/20 0.43
TP53 P04637 1/20 0.43
MMP2 P08253 1/20 0.43
CYP2D6 P10635 1/20 0.43
MMP9 P14780 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
MMP8 P22894 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
SCHEMBL6513577 0.80 LMNA (1.00) LMNAKDM4EMAPTCYP3A4HSP90AA1
SCHEMBL8313 0.80 LMNA (1.00) LMNAKDM4EMAPTCYP3A4HSP90AA1
SCHEMBL7433014 0.80 LMNA (0.70) LMNAKDM4EMAPTCYP3A4HSP90AA1
SCHEMBL7033939 0.80 LMNA (0.65) LMNAKDM4EMAPTCYP3A4HSP90AA1
SCHEMBL9860875 0.79 LMNA (0.69) LMNAKDM4EMAPTCYP3A4HSP90AA1
SCHEMBL723791 0.79 LMNA (0.96) LMNAKDM4EMAPTCYP3A4HSP90AA1
SCHEMBL3885158 0.79 LMNA (0.96) LMNAKDM4EMAPTCYP3A4HSP90AA1
SCHEMBL7268962 0.79 LMNA (0.96) LMNAKDM4EMAPTCYP3A4HSP90AA1
SCHEMBL7142651 0.79 LMNA (0.96) LMNAKDM4EMAPTCYP3A4HSP90AA1
SCHEMBL15788918 0.79 LMNA (0.96) LMNAKDM4EMAPTCYP3A4HSP90AA1

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
EP-4458820-A1 CLASS OF QUINOLINE COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2024-11-06 EP disclosed