SCHEMBL30320358

SCHEMBL30320358

CCn1cc(C(F)(F)F)nc1-c1ccc([N+](=O)[O-])cc1C#N

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
ALDH1A1 P00352 4/20 0.42
GAA P10253 3/20 0.41
PTGS2 P35354 1/20 0.41
VCAM1 P19320 1/20 0.40
SCN9A Q15858 1/20 0.40
AR P10275 6/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.36
BCHE P06276 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
PAX8 Q06710 1/20 0.35

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
SCHEMBL25792163 1.00 LMNA (0.42) LMNAALDH1A1GAAPTGS2VCAM1
SCHEMBL25792164 0.84 PTGS2 (0.43) LMNAALDH1A1GAAPTGS2SMN1; SMN2
SCHEMBL30320437 0.84 PTGS2 (0.43) LMNAALDH1A1GAAPTGS2SMN1; SMN2
SCHEMBL25792162 0.81 SCN9A (0.39) LMNAALDH1A1GAAPTGS2SCN9A
SCHEMBL25791924 0.78 APOBEC3G (0.46) LMNAALDH1A1PTGS2MEN1RAB9A
SCHEMBL30319724 0.78 GABRA1 (0.41) PTGS2SCN9AAR
SCHEMBL23909950 0.76 LMNA (0.49) LMNAALDH1A1GAAPTGS2VCAM1
SCHEMBL23910067 0.73 BCHE (0.58) LMNAALDH1A1GAAVCAM1AR
SCHEMBL21071965 0.69 ALDH1A1 (0.52) LMNAALDH1A1GAAPTGS2VCAM1
SCHEMBL25975183 0.68 SCN9A (0.45) LMNAGAAPTGS2SCN9A

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
EP-4161494-A1 NITROGEN-CONTAINING FUSED BICYCLIC COMPOUNDS AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. (US) 2023-04-12 EP disclosed