SCHEMBL28622371

SCHEMBL28622371

N#CCCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)OCCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.41
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 9/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HTT P42858 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
RECQL P46063 1/20 0.38
PKM P14618 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37

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
SCHEMBL14854039 0.96 ALDH1A1 (0.42) MAOBALDH1A1TDP1MAPTKMT2A
SCHEMBL14843814 0.95 ALDH1A1 (0.41) MAOBALDH1A1TDP1MAPTKMT2A
SCHEMBL14843812 0.95 ALDH1A1 (0.41) MAOBALDH1A1TDP1MAPTKMT2A
SCHEMBL20489104 0.87 ALDH1A1 (0.42) MAOBALDH1A1TDP1MAPTKMT2A
SCHEMBL30605779 0.87 ALDH1A1 (0.42) MAOBALDH1A1TDP1MAPTKMT2A
SCHEMBL679941 0.85 ALDH1A1 (0.41) MAOBALDH1A1TDP1MAPTKMT2A
SCHEMBL14684822 0.85 MAPT (0.46) MAOBALDH1A1TDP1MAPTKMT2A
SCHEMBL15771834 0.85 MAPT (0.46) MAOBALDH1A1TDP1MAPTKMT2A
SCHEMBL14854084 0.82 MAPT (0.44) MAOBALDH1A1MAPTKMT2AMEN1
SCHEMBL28634907 0.81 CA12 (0.39) MAOBALDH1A1TDP1MAPTKDM4E

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-108912011-B Photoalignment material 罗立克科技股份公司 2021-09-24 CN disclosed