SCHEMBL22348656

SCHEMBL22348656

CN1CCC(Oc2ccc([N+](=O)[O-])c(N)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
SIRT6 Q8N6T7 3/20 0.54
LMNA P02545 3/20 0.51
ALDH1A1 P00352 2/20 0.51
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
PARP1 P09874 1/20 0.39
HTR6 P50406 1/20 0.39

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
SCHEMBL30880140 1.00 MAPT (0.54) MAPTSIRT6LMNAALDH1A1TSHR
SCHEMBL22236053 0.90 ALDH1A1 (0.46) MAPTSIRT6LMNAALDH1A1TSHR
SCHEMBL956959 0.88 MAOA (0.48) MAPTSIRT6LMNAALDH1A1TSHR
SCHEMBL25725414 0.85 LMNA (0.58) MAPTLMNAALDH1A1MAOAMAOB
SCHEMBL375370 0.85 SIRT6 (0.51) MAPTSIRT6LMNAALDH1A1MAOA
SCHEMBL16514882 0.84 MAOA (0.45) MAPTSIRT6LMNAALDH1A1TDP1
SCHEMBL22348729 0.83 ALDH1A1 (0.45) MAPTSIRT6LMNAALDH1A1TSHR
SCHEMBL375364 0.83 SIRT6 (0.57) MAPTSIRT6LMNAALDH1A1TDP1
SCHEMBL29446151 0.83 SIRT6 (0.57) MAPTSIRT6LMNAALDH1A1TDP1
SCHEMBL20982501 0.81 MAPT (0.58) MAPTSIRT6LMNAALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113795256-B FGFR inhibitors for treatment of cancer 布里奇恩生物科学公司 2024-05-03 CN disclosed
EP-3923947-A1 FGFR INHIBITORS FOR THE TREATMENT OF CANCER Bridgene Biosciences, Inc. (US) 2021-12-22 EP disclosed
WO-2020168237-A1 FGFR INHIBITORS FOR THE TREATMENT OF CANCER BRIDGENE BIOSCIENCES, INC. (US) 2020-08-20 WO disclosed