SCHEMBL31399740

SCHEMBL31399740

CC(=O)c1cc(F)cc([N+](=O)[O-])c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
TTR P02766 4/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
LMNA P02545 2/20 0.43
DHODH Q02127 1/20 0.40
CYP1A2 P05177 1/20 0.40
GPR35 Q9HC97 1/20 0.39
POLB P06746 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
ATM Q13315 1/20 0.38
MAPT P10636 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
USP10 Q14694 1/20 0.37
USP7 Q93009 1/20 0.37
USP47 Q96K76 1/20 0.37
CYP2C9 P11712 1/20 0.37
KCNMA1 Q12791 1/20 0.37

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
SCHEMBL2041245 0.86 TSHR (0.56) TSHRTTRKMT2AMEN1L3MBTL1
SCHEMBL31451583 0.86 TSHR (0.56) TSHRTTRKMT2AMEN1L3MBTL1
SCHEMBL20614209 0.85 LMNA (0.45) TSHRTTRKMT2AMEN1L3MBTL1
SCHEMBL2046728 0.83 PDGFRB (0.49) TSHRTTRKMT2AMEN1L3MBTL1
SCHEMBL31159174 0.83 PDGFRB (0.49) TSHRTTRKMT2AMEN1L3MBTL1
SCHEMBL3840635 0.83 TTR (0.54) TSHRTTRKMT2AMEN1LMNA
SCHEMBL19785779 0.82 GPR35 (0.55) TSHRKMT2AMEN1L3MBTL1DHODH
SCHEMBL4748223 0.81 TDP1 (0.54) TSHRTTRKMT2AMEN1L3MBTL1
SCHEMBL28490193 0.80 ALDH1A1 (0.52) TSHRKMT2AMEN1LMNAPOLB
SCHEMBL13468174 0.79 CYP1A2 (0.47) TSHRKMT2AMEN1L3MBTL1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4739672-A1 NEW COMPOUNDS Aston University (GB) 2026-05-13 EP disclosed
WO-2025008626-A1 NEW COMPOUNDS ASTON UNIVERSITY (GB) 2025-01-09 WO disclosed