SCHEMBL28839593

SCHEMBL28839593

O=C1c2cccc3cccc(c23)C(=O)N1c1ccc(N(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
CA12 O43570 2/20 0.61
CA9 Q16790 2/20 0.61
RXFP1 Q9HBX9 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
KDM4E B2RXH2 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HPGD P15428 1/20 0.58
PDE6D O43924 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
GAA P10253 3/20 0.53
RAB9A P51151 1/20 0.53
PSMD14 O00487 1/20 0.52
TP53 P04637 1/20 0.52
POLB P06746 1/20 0.52
MMP2 P08253 1/20 0.52
MAPT P10636 2/20 0.50

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
SCHEMBL9290290 0.90 PDE6D (0.72) ALDH1A1CA12CA9RXFP1L3MBTL1
SCHEMBL28839555 0.87 KMT2A (0.67) ALDH1A1CA12CA9KDM4EHPGD
SCHEMBL28769329 0.85 CA12 (0.49) ALDH1A1CA12CA9RXFP1L3MBTL1
SCHEMBL299841 0.85 ALDH1A1 (0.71) ALDH1A1CA12CA9RXFP1L3MBTL1
SCHEMBL20735193 0.85 ALDH1A1 (0.82) ALDH1A1CA12CA9RXFP1L3MBTL1
SCHEMBL12395619 0.81 KMT2A (0.49) ALDH1A1CA12CA9RXFP1L3MBTL1
SCHEMBL20735204 0.80 ALDH1A1 (0.74) ALDH1A1CA12CA9RXFP1L3MBTL1
SCHEMBL20735205 0.80 ALDH1A1 (0.74) ALDH1A1CA12CA9RXFP1L3MBTL1
SCHEMBL28868331 0.79 ALDH1A1 (0.64) ALDH1A1CA12CA9RXFP1L3MBTL1
SCHEMBL12561294 0.79 PDE6D (0.51) ALDH1A1CA12CA9RXFP1L3MBTL1

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-110350193-B Double-ion embedded cross-linked net-shaped triphenylamine polymer lithium ion battery positive electrode material and preparation method thereof 华南师范大学 2022-09-06 CN disclosed