SCHEMBL31065616

SCHEMBL31065616

C[C@H]1c2ccc(C(=O)O)cc2N(Cc2c(F)cccc2Cl)C(=O)N1C

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 2/20 0.73
TP53 P04637 5/20 0.45
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
RORC P51449 1/20 0.42
LMNA P02545 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
POLB P06746 1/20 0.41
SLC22A12 Q96S37 1/20 0.41

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
SCHEMBL31065609 1.00 STING1 (0.73) STING1TP53MAPTSMN1; SMN2MEN1
SCHEMBL22000896 1.00 STING1 (0.73) STING1TP53MAPTSMN1; SMN2MEN1
SCHEMBL21932350 1.00 STING1 (0.73) STING1TP53MAPTSMN1; SMN2MEN1
SCHEMBL21932216 1.00 STING1 (0.73) STING1TP53MAPTSMN1; SMN2MEN1
SCHEMBL31065580 0.91 STING1 (0.71) STING1TP53MAPTSMN1; SMN2MEN1
SCHEMBL21932446 0.89 STING1 (0.72) STING1TP53MAPTSMN1; SMN2MEN1
SCHEMBL31065605 0.89 STING1 (0.72) STING1TP53MAPTSMN1; SMN2MEN1
SCHEMBL22000894 0.89 STING1 (0.72) STING1TP53MAPTSMN1; SMN2MEN1
SCHEMBL21932342 0.89 STING1 (0.72) STING1TP53MAPTSMN1; SMN2MEN1
SCHEMBL21932273 0.84 STING1 (0.84) STING1TP53MAPTSMN1; SMN2KMT2A

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
CN-111132972-B Small molecule modulators of human STING 克拉德夫制药有限公司 2024-07-12 CN disclosed