SCHEMBL30820071

SCHEMBL30820071

CC1C(N)=C([N+](=O)[O-])C=CC1(C)N

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
POLB P06746 1/20 0.30
HTT P42858 1/20 0.30
CYP3A4 P08684 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL28735911 0.63 TSHR (0.31) ALDH1A1CYP3A4TDP1
SCHEMBL5224569 0.63
SCHEMBL7218331 0.63
SCHEMBL31211969 0.62
SCHEMBL30820070 0.62 ALDH1A1 (0.32) ALDH1A1POLBHTTCYP3A4TDP1
SCHEMBL13261866 0.62 CYP3A4 (0.33) ALDH1A1POLBHTTCYP3A4TDP1
SCHEMBL11427711 0.60 ACHE (0.31) ALDH1A1
SCHEMBL31448406 0.59
SCHEMBL30472767 0.59 KDM1A (0.30)
SCHEMBL9651767 0.57 CYP3A4 (0.32) ALDH1A1CYP3A4TDP1

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-114845797-B Gas separation membrane, gas separation membrane element, and gas production method 东丽株式会社 2024-03-12 CN disclosed