SCHEMBL28529302

SCHEMBL28529302

Nc1cc(OC(F)(F)F)c(-c2ccccc2)c(Cl)c1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 2/20 0.37
VEGFA P15692 1/20 0.37
HCRTR1 O43613 1/20 0.37
PKM P14618 1/20 0.37
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
TDP1 Q9NUW8 2/20 0.35
TTR P02766 1/20 0.35
ALB P02768 1/20 0.35
THRB P10828 1/20 0.35
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
ACLY P53396 1/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
PDE7A Q13946 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
SCHEMBL28536731 0.80 ACLY (0.35) ADORA2AADORA1ACLYSMN1; SMN2POLB
SCHEMBL14744335 0.70 GRIA1 (0.39) ACLYGRIA1CACNG8
SCHEMBL7082751 0.69 ALDH1A1 (0.39) EPAS1MEN1KMT2ATDP1ADORA2A
SCHEMBL7615427 0.68 AKR1C2 (0.45) MEN1KMT2ATDP1TTRMAPT
SCHEMBL23580466 0.67 GRIN2D (0.42) HCRTR1PKMMEN1KMT2ATDP1
SCHEMBL14747018 0.67 AKR1C3 (0.39) MEN1KMT2ATDP1MAPTAKR1C3
SCHEMBL28429949 0.66 TSHR (0.47) HCRTR1PKMTDP1ABCC8KCNJ11
SCHEMBL8863198 0.66 ALDH1A1 (0.44) MEN1KMT2ATDP1TTRALB
SCHEMBL7081702 0.66 TLR8 (0.44) EPAS1MEN1KMT2ATDP1MAPT
SCHEMBL8083183 0.66 TSHR (0.44) EPAS1VEGFAMEN1KMT2ATDP1

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
CN-107635970-B Benzimidazolone and benzothiazolone compounds and their use as AMPA receptor modulators 詹森药业有限公司 2021-03-12 CN disclosed