SCHEMBL28655012

SCHEMBL28655012

O=C(Oc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1C[C@H]1C(=O)Oc1ccc([N+](=O)[O-])c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.47
TSHR P16473 1/20 0.47
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
ALDH1A1 P00352 5/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
RAF1 P04049 1/20 0.41
GFER P55789 1/20 0.41
PAX8 Q06710 1/20 0.41
F2 P00734 3/20 0.40
PRSS1 P07477 3/20 0.40
PRSS2 P07478 3/20 0.40
PRSS3 P35030 3/20 0.40

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
SCHEMBL28664266 0.95 MAPK1 (0.43) MAPK1TSHRCA1CA2MMP1
SCHEMBL28664262 0.95 MAPK1 (0.43) MAPK1TSHRCA1CA2MMP1
SCHEMBL28650765 0.82 NPC1 (0.50) MAPK1TSHRALDH1A1LMNAMAPT
SCHEMBL28655379 0.82 TDP1 (0.47) MAPK1TSHRALDH1A1LMNAMAPT
SCHEMBL1857266 0.80 MAPK1 (0.51) MAPK1TSHRCA1CA2MMP1
SCHEMBL28668421 0.80 ALDH1A1 (0.47) MAPK1ALDH1A1LMNAMAPTHPGD
SCHEMBL28649738 0.78 ATM (0.43) LMNAMAPTHTTTDP1MEN1
SCHEMBL28649735 0.78 ATM (0.43) LMNAMAPTHTTTDP1MEN1
SCHEMBL11648784 0.77 MAPK1 (0.47) MAPK1TSHRCA1CA2MMP1
SCHEMBL27538288 0.77 MAPK1 (0.47) MAPK1TSHRCA1CA2MMP1

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-113717062-A Compound, polymer, liquid crystal aligning agent, liquid crystal alignment film, liquid crystal display element, and production method 捷恩智株式会社 2021-11-30 CN disclosed