SCHEMBL21606302

SCHEMBL21606302

COC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)N(C)N2C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
MAPT P10636 4/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TP53 P04637 2/20 0.43
MAPK14 Q16539 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 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
SCHEMBL21606274 0.89 STING1 (0.51) STING1SMN1; SMN2MEN1KMT2AATM
SCHEMBL21606287 0.84 STING1 (0.46) STING1SMN1; SMN2MEN1KMT2AATM
SCHEMBL21606281 0.84 RORC (0.39) STING1SMN1; SMN2MEN1KMT2AATM
SCHEMBL21606323 0.84 SMN1; SMN2 (0.52) STING1SMN1; SMN2MEN1KMT2AATM
SCHEMBL21606289 0.83 STING1 (0.53) STING1SMN1; SMN2MEN1KMT2AATM
SCHEMBL22000590 0.83 STING1 (0.49) STING1SMN1; SMN2MEN1KMT2AATM
SCHEMBL22000894 0.83 STING1 (0.72) STING1SMN1; SMN2MEN1KMT2AATM
SCHEMBL21932446 0.83 STING1 (0.72) STING1SMN1; SMN2MEN1KMT2AATM
SCHEMBL21932342 0.83 STING1 (0.72) STING1SMN1; SMN2MEN1KMT2AATM
SCHEMBL31065605 0.83 STING1 (0.72) STING1SMN1; SMN2MEN1KMT2AATM

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-2019243823-A1 AZAHETEROCYCLIC SMALL MOLECULE MODULATORS OF HUMAN STING CURADEV PHARMA LIMITED (GB) 2019-12-26 WO disclosed