SCHEMBL21606290

SCHEMBL21606290

CN1CC(=O)N(Cc2c(F)cccc2Cl)c2cc(C(=O)O)ccc21

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.48
TP53 P04637 3/20 0.48
STING1 Q86WV6 3/20 0.47
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
RORC P51449 1/20 0.42
MEN1 O00255 1/20 0.42
ATM Q13315 1/20 0.42
EDNRB P24530 1/20 0.42
EDNRA P25101 1/20 0.42

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
SCHEMBL21606323 0.89 SMN1; SMN2 (0.52) MAPTSMN1; SMN2TP53STING1KMT2A
SCHEMBL21606274 0.83 STING1 (0.51) MAPTSMN1; SMN2TP53STING1KMT2A
SCHEMBL24296024 0.82 STING1 (0.49) MAPTSMN1; SMN2TP53STING1KMT2A
SCHEMBL18864289 0.81 MAPT (0.73) MAPTSMN1; SMN2TP53STING1KMT2A
SCHEMBL21606273 0.81 PARK7 (0.52) MAPTKMT2AALDH1A1MEN1
SCHEMBL22000896 0.78 STING1 (0.73) MAPTSMN1; SMN2TP53STING1KMT2A
SCHEMBL31065609 0.78 STING1 (0.73) MAPTSMN1; SMN2TP53STING1KMT2A
SCHEMBL21932216 0.78 STING1 (0.73) MAPTSMN1; SMN2TP53STING1KMT2A
SCHEMBL21932350 0.78 STING1 (0.73) MAPTSMN1; SMN2TP53STING1KMT2A
SCHEMBL31065616 0.78 STING1 (0.73) MAPTSMN1; SMN2TP53STING1KMT2A

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