SCHEMBL29616989

SCHEMBL29616989

Cc1cc(Cn2ncc3cncnc32)ccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
SLC29A1 Q99808 1/20 0.36
BRD4 O60885 1/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
AR P10275 1/20 0.34
MET P08581 1/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL29616987 0.81 ADORA2A (0.47) LMNASLC29A1MAPTMEN1KMT2A
SCHEMBL23388290 0.75 HSP90AA1 (0.57) CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6280404 0.72 PKM (0.49) MAPTALDH1A1
SCHEMBL29616953 0.71 ADORA2A (0.44) LMNASLC29A1MEN1KMT2A
SCHEMBL9982974 0.70 RECQL (0.54) LMNAMAPTGAATSHRHPGD
SCHEMBL30135342 0.70 RECQL (0.54) LMNAMAPTGAATSHRHPGD
SCHEMBL5905969 0.70 BLM (0.38) MAPTGAATSHRHPGDMEN1
SCHEMBL6281357 0.69 NR3C1 (0.40) MAPTGAATSHRHPGDNPC1
SCHEMBL6274939 0.69 LMNA (0.45) LMNAMAPTNR3C1PGRAR
SCHEMBL16418006 0.69 BRD4 (0.43) LMNABRD4MAPTHPGDMEN1

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
WO-2022107044-A1 PREVENTION AND/OR TREATMENT OF CNS DISORDERS ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-05-27 WO disclosed