SCHEMBL12757151

SCHEMBL12757151

[C-]#[N+]c1ccc(C(=O)c2ccc(N(C)c3ccc(C(=O)C(C)(C)S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 4/20 0.34
TP53 P04637 2/20 0.34
LTC4S Q16873 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SRD5A2 P31213 1/20 0.33
PTPN1 P18031 1/20 0.32
STAT3 P40763 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
MAPK1 P28482 1/20 0.31
PPARG P37231 2/20 0.31
RAB9A P51151 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
NR2E3 Q9Y5X4 1/20 0.31
NCOR2 Q9Y618 1/20 0.31

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
SCHEMBL12757143 0.91 LMNA (0.43) ALDH1A1LMNAMAPTTP53LTC4S
SCHEMBL12757149 0.87 ALDH1A1 (0.47) ALDH1A1LMNAMAPTTP53LTC4S
SCHEMBL12757141 0.86 NPC1 (0.46) ALDH1A1LMNATP53LTC4SHPGD
SCHEMBL12757145 0.86 LMNA (0.39) ALDH1A1LMNAMAPTTP53LTC4S
SCHEMBL12757129 0.85 GFER (0.40) ALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL12757094 0.85 LMNA (0.36) ALDH1A1LMNAHPGDSRD5A2PTPN1
SCHEMBL12757144 0.85 KMT2A (0.44) ALDH1A1LMNAMAPTTP53LTC4S
SCHEMBL12757153 0.85 LMNA (0.38) ALDH1A1LMNAMAPTTP53LTC4S
SCHEMBL12757154 0.83 TP53 (0.51) ALDH1A1LMNAMAPTTP53SMN1; SMN2
SCHEMBL12757172 0.83 ALOX5 (0.46) ALDH1A1MAPTLTC4SHPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8342674-B2 Ink composition and inkjet recording method FUJIFILM CORPORATION (JP) 2013-01-01 US disclosed
US-20110074897-A1 INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2011-03-31 US disclosed