SCHEMBL21616249

SCHEMBL21616249

N#CB1CCC(Oc2cc(C(=O)O)c([N+](=O)[O-])cc2F)CC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DTYMK P23919 1/20 0.33
▸ PDE5A O76074 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ HCAR3 P49019 3/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GPR6 P46095 3/20 0.32
▸ FTO Q9C0B1 1/20 0.31
▸ AKR1C2 P52895 1/20 0.31
▸ AKR1C1 Q04828 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ TTR P02766 1/20 0.31
▸ PPOX P50336 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL26814530 0.77 HCAR3 (0.38) DTYMKMAPTMEN1KMT2AHCAR3
SCHEMBL26814567 0.75 FABP4 (0.41) PDE5AMAPTMEN1KMT2AHCAR3
SCHEMBL26814541 0.75 HCAR3 (0.40) DTYMKPDE5AMAPTMEN1KMT2A
SCHEMBL29686047 0.74 GPR119 (0.54) MAPTALDH1A1
SCHEMBL21612824 0.74 GPR119 (0.54) MAPTALDH1A1
SCHEMBL31145708 0.73 DTYMK (0.40) DTYMKPDE5AMEN1KMT2AHCAR3
SCHEMBL31510002 0.72 DTYMK (0.39) DTYMKPDE5AMEN1KMT2AHCAR3
SCHEMBL16649234 0.71 PKM (0.54) DTYMKMAPTMEN1KMT2AGAA
SCHEMBL4230982 0.71 HCAR3 (0.41) DTYMKPDE5AMAPTMEN1KMT2A
SCHEMBL21616255 0.71 PDE5A (0.37) PDE5AMAPTMEN1KMT2AGAA

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-2020009156-A1 BIARYL ETHER-TYPE QUINAZOLINE DERIVATIVE 第一三共株式会社 2020-01-09 — — WO disclosed
Send feedback