SCHEMBL21786475

SCHEMBL21786475

N=Cc1cncc(-c2c(OCc3ccc(Cl)cc3)ccc(-c3cc(C(F)(F)F)n[nH]3)c2O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 4/20 0.35
PTGER1 P34995 4/20 0.35
MRGPRX4 Q96LA9 3/20 0.34
PTPN1 P18031 3/20 0.34
SLC6A4 P31645 1/20 0.33
ALOX5AP P20292 1/20 0.33
GYS1 P13807 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CCR5 P51681 2/20 0.31
MEN1 O00255 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
CNR1 P21554 1/20 0.31

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
SCHEMBL23913056 0.90 TBXA2R (0.35) TBXA2RPTGER1MRGPRX4PTPN1ALOX5AP
SCHEMBL21786482 0.89 TBXA2R (0.37) TBXA2RPTGER1MRGPRX4PTPN1SLC6A4
SCHEMBL21786536 0.89 PTGER1 (0.41) TBXA2RPTGER1MRGPRX4PTPN1SLC6A4
SCHEMBL22791110 0.87 TBXA2R (0.36) TBXA2RPTGER1MRGPRX4SLC6A4ALOX5AP
SCHEMBL22791109 0.86 CNR1 (0.37) TBXA2RPTGER1MRGPRX4CCR5CNR1
SCHEMBL22825614 0.83 STIM1 (0.35) TBXA2RPTGER1PTPN1SLC6A4SMN1; SMN2
SCHEMBL21786441 0.80 CYP19A1 (0.36) TBXA2RPTGER1MRGPRX4PTPN1
SCHEMBL22825444 0.79 PTGER1 (0.33) TBXA2RPTGER1PTPN1SLC6A4SMN1; SMN2
SCHEMBL21786626 0.78 MAPT (0.39) MRGPRX4PTPN1GYS1SMN1; SMN2LMNA
SCHEMBL21786597 0.77 MAPT (0.38) MRGPRX4SLC6A4SMN1; SMN2CCR5MEN1

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-2020046382-A1 SUBSTITUTED HETEROCYCLES AS C-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-03-05 WO disclosed