SCHEMBL31104635

SCHEMBL31104635

CP(C)(=O)c1ccc([N+](=O)[O-])c(OC(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 5/20 0.37
LMNA P02545 3/20 0.37
TDP1 Q9NUW8 2/20 0.36
SIRT6 Q8N6T7 1/20 0.35
MAPT P10636 3/20 0.35
ALDH3A1 P30838 1/20 0.34
HTT P42858 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
XBP1 P17861 1/20 0.34
CCR6 P51684 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR6 P50406 1/20 0.32

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
SCHEMBL19174930 0.87 PDK1 (0.44) CYP3A4TSHRALDH1A1LMNATDP1
SCHEMBL1491795 0.81 ALDH1A1 (0.54) CYP3A4TSHRALDH1A1LMNATDP1
SCHEMBL15174114 0.78 TSHR (0.59) CYP3A4TSHRALDH1A1LMNAMAPT
SCHEMBL31104710 0.78 MAPT (0.39) CYP3A4TSHRALDH1A1LMNATDP1
SCHEMBL30184600 0.77 TSHR (0.41) CYP3A4TSHRALDH1A1LMNATDP1
SCHEMBL29212369 0.77 TSHR (0.41) CYP3A4TSHRALDH1A1LMNATDP1
SCHEMBL29446158 0.76 TDP1 (0.55) CYP3A4TSHRALDH1A1TDP1MAPT
SCHEMBL2229339 0.76 TDP1 (0.55) CYP3A4TSHRALDH1A1TDP1MAPT
SCHEMBL19175567 0.75 NPC1 (0.47) ALDH1A1LMNAMAPTRAB9AMEN1
SCHEMBL25033449 0.75 ALDH1A1 (0.32) CYP3A4TSHRALDH1A1TDP1HTT

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-4676602-A1 COMPOUNDS TARGETING MUTATIONS IN P53 AND USES THEREOF Merck Sharp & Dohme LLC (US) 2026-01-14 EP disclosed
WO-2024187153-A1 COMPOUNDS TARGETING MUTATIONS IN P53 AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-09-12 WO disclosed