SCHEMBL30152249

SCHEMBL30152249

COc1cc([N+](=O)[O-])ccc1OCc1cccc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.55
ADRA1D P25100 2/20 0.55
ADRA1A P35348 2/20 0.55
ADRA1B P35368 2/20 0.55
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
MAPT P10636 7/20 0.51
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
LMNA P02545 1/20 0.50
PABPC1 P11940 1/20 0.50
CYP19A1 P11511 5/20 0.49
MAOB P27338 2/20 0.49
NPSR1 Q6W5P4 2/20 0.48
NTSR1 P30989 1/20 0.48

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
SCHEMBL1406632 1.00 HTR1A (0.55) HTR1AADRA1DADRA1AADRA1BMEN1
SCHEMBL1406869 0.86 MRGPRX4 (0.54) HTR1AADRA1DADRA1AADRA1BMEN1
SCHEMBL30152254 0.86 MEN1 (0.51) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL3366592 0.86 MEN1 (0.51) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL1578513 0.86 CYP19A1 (0.63) HTR1AADRA1DADRA1AADRA1BMEN1
SCHEMBL30354869 0.85 MAPT (0.67) HTR1AADRA1DADRA1AADRA1BMEN1
SCHEMBL5929724 0.85 MAPT (0.67) HTR1AADRA1DADRA1AADRA1BMEN1
SCHEMBL141880 0.84 EGFR (0.59) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL4031443 0.84 MEN1 (0.49) MEN1KMT2AMAPTALDH1A1CYP19A1
SCHEMBL30152359 0.84 MAPT (0.49) MEN1KMT2AMAPTCYP19A1MAOB

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
WO-2023009785-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2023-02-02 WO disclosed