SCHEMBL21606274

SCHEMBL21606274

CN1C(=O)N(Cc2c(F)cccc2Cl)c2cc(C(=O)O)ccc2N1C

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 3/20 0.51
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
MAPT P10636 2/20 0.46
TP53 P04637 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
RORC P51449 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
SLC22A12 Q96S37 2/20 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
SCHEMBL21606302 0.89 STING1 (0.51) STING1MEN1KMT2AATMMAPT
SCHEMBL21606290 0.83 MAPT (0.51) STING1MEN1KMT2AATMMAPT
SCHEMBL21932345 0.83 STING1 (0.56) STING1MEN1KMT2AATMMAPT
SCHEMBL24296024 0.82 STING1 (0.49) STING1MEN1KMT2AATMMAPT
SCHEMBL21932216 0.82 STING1 (0.73) STING1MEN1KMT2AATMMAPT
SCHEMBL31065609 0.82 STING1 (0.73) STING1MEN1KMT2AATMMAPT
SCHEMBL22000896 0.82 STING1 (0.73) STING1MEN1KMT2AATMMAPT
SCHEMBL21932350 0.82 STING1 (0.73) STING1MEN1KMT2AATMMAPT
SCHEMBL31065616 0.82 STING1 (0.73) STING1MEN1KMT2AATMMAPT
SCHEMBL21606280 0.80 KMT2A (0.53) MEN1KMT2AMAPTPOLB

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