SCHEMBL20595012

SCHEMBL20595012

COC(=O)c1cc(I)c2c(c1)N(Cc1c(F)cccc1Cl)C(=O)C2(C)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 3/20 0.50
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
TSHR P16473 1/20 0.43
ALOX15 P16050 2/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK14 Q16539 2/20 0.41
TP53 P04637 2/20 0.40
THRB P10828 1/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL20594824 0.89 STING1 (0.50) STING1MEN1KMT2AATMSMN1; SMN2
SCHEMBL20594939 0.85 STING1 (0.69) STING1MEN1KMT2AATMSMN1; SMN2
SCHEMBL21990175 0.85 STING1 (0.61) STING1MEN1KMT2AATMSMN1; SMN2
SCHEMBL20595101 0.82 CA12 (0.49) STING1MEN1KMT2AATMSMN1; SMN2
SCHEMBL25809782 0.80 STING1 (0.72) STING1MEN1KMT2AATMSMN1; SMN2
SCHEMBL20594811 0.79 STING1 (0.69) STING1MEN1KMT2AATMSMN1; SMN2
SCHEMBL22044779 0.79 STING1 (0.61) STING1MEN1KMT2AATMSMN1; SMN2
SCHEMBL22043970 0.79 STING1 (0.61) STING1MEN1KMT2AATMSMN1; SMN2
SCHEMBL21972067 0.79 SMN1; SMN2 (0.52) STING1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL22044387 0.77 STING1 (0.59) STING1MEN1KMT2AATMSMN1; SMN2

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-3642197-A1 HETEROCYCLIC SMALL MOLECULE MODULATORS OF HUMAN STING Curadev Pharma Limited (GB) 2020-04-29 EP disclosed
WO-2018234807-A1 HETEROCYCLIC SMALL MOLECULE MODULATORS OF HUMAN STING CURADEV PHARMA LIMITED (GB) 2018-12-27 WO disclosed