SCHEMBL28628385

SCHEMBL28628385

C#Cc1cc([N+](=O)[O-])ccc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 7/20 0.55
ALDH1A1 P00352 7/20 0.53
CYP3A4 P08684 4/20 0.53
TSHR P16473 3/20 0.52
GAA P10253 1/20 0.52
THRB P10828 1/20 0.52
HTT P42858 1/20 0.49
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
ALOX15 P16050 2/20 0.47
VCAM1 P19320 1/20 0.47
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
GFER P55789 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL28857833 0.82 TDP1 (0.57) TDP1ALDH1A1CYP3A4TSHRGAA
SCHEMBL689735 0.81 VCAM1 (0.66) TDP1ALDH1A1CYP3A4TSHRGAA
SCHEMBL21121958 0.80 XDH (0.51) TDP1ALDH1A1CYP3A4TSHRGAA
SCHEMBL29980060 0.79 ALDH1A1 (0.60) TDP1ALDH1A1CYP3A4TSHRHTT
SCHEMBL4645678 0.79 ALDH1A1 (0.56) TDP1ALDH1A1CYP3A4TSHRHTT
SCHEMBL23648373 0.79 ALDH1A1 (0.60) TDP1ALDH1A1CYP3A4TSHRHTT
Nitrogen SCHEMBL28796067 0.79 VCAM1 (0.64) TDP1ALDH1A1CYP3A4TSHRGAA
SCHEMBL3218901 0.79 VCAM1 (0.46) TDP1ALDH1A1CYP3A4TSHRGAA
SCHEMBL3874387 0.79 ALDH1A1 (0.56) TDP1ALDH1A1TSHRGAATHRB
SCHEMBL15461632 0.78 VCAM1 (0.62) TDP1ALDH1A1TSHRGAAVCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118619880-A Low-cost and environment-friendly method for preparing 4-hydroxyquinoline-2 (1H) -ketone compound 浙江外国语学院 2024-09-10 CN disclosed
CN-117384201-A 1-alkenyl indole compound and preparation method thereof 鲁东大学 2024-01-12 CN disclosed
CN-113416166-B Method for preparing 4-hydroxyquinoline-2 (1H) -ketone compound 浙江外国语学院 2022-08-05 CN disclosed
CN-113416166-A Method for preparing 4-hydroxyquinoline-2 (1H) -ketone compound 浙江外国语学院 2021-09-21 CN disclosed