SCHEMBL30116615

SCHEMBL30116615

O=C(O)c1ccc(-c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.55
CASP6 P55212 1/20 0.54
TTR P02766 1/20 0.53
TSHR P16473 2/20 0.50
LMNA P02545 1/20 0.50
AKR1B1 P15121 1/20 0.50
AKR1C4 P17516 1/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
AKR1C1 Q04828 1/20 0.50
MAP4K4 O95819 1/20 0.48
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
RXRG P48443 1/20 0.48
SRD5A2 P31213 1/20 0.47
HCAR3 P49019 5/20 0.47
EIF4E P06730 1/20 0.47
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45

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
SCHEMBL9557826 0.87 CASP6 (0.66) CASP6TSHRLMNAHCAR3
SCHEMBL30011381 0.85 CASP6 (0.64) CASP6TSHRLMNAHCAR3
SCHEMBL23499234 0.85 CASP6 (0.64) CASP6TSHRLMNAHCAR3
SCHEMBL5207567 0.84 KDM4E (0.47) CYP2C8CASP6TTRTSHRLMNA
SCHEMBL5207404 0.84 RAB9A (0.55) TTRLMNAEIF4E
SCHEMBL99918 0.82 CASP6 (0.64) CASP6TSHRLMNAHCAR3
SCHEMBL17197945 0.82 CASP6 (0.68) CASP6TSHRLMNAHCAR3
SCHEMBL12181972 0.81 CASP6 (0.58) CASP6TSHRLMNASRD5A2HCAR3
SCHEMBL11761556 0.81 CASP6 (0.58) CASP6TSHRLMNAHCAR3
SCHEMBL4597071 0.81 CYP2C8 (0.65) CYP2C8AKR1C3AKR1C2MAP4K4RXRA

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-112409223-B Amide compound and medical application thereof as STING inhibitor 中国药科大学 2023-01-31 CN disclosed