SCHEMBL4300702

SCHEMBL4300702

CN(C)c1ccc2cc(-c3cc[n+](Cc4ccccc4)cc3)c(=O)oc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.50
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
CHKA P35790 4/20 0.49
LMNA P02545 3/20 0.49
HTT P42858 3/20 0.49
SLC16A3 O15427 2/20 0.47
BCHE P06276 1/20 0.47
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
MIF P14174 1/20 0.46
CYP19A1 P11511 1/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
KMT2A Q03164 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46

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
Bromide SCHEMBL4309541 0.99 ALDH1A1 (0.50) ACHEALDH1A1SMN1; SMN2CHKALMNA
Sulfuric Acid SCHEMBL4311370 0.93 ACHE (0.45) ACHEALDH1A1SMN1; SMN2CHKALMNA
SCHEMBL4309500 0.90 SLC16A3 (0.59) ACHEALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL4301892 0.89 CYP19A1 (0.62) ALDH1A1SMN1; SMN2LMNAHTTSLC16A3
SCHEMBL4304394 0.89 ACHE (0.42) ACHEALDH1A1SMN1; SMN2CHKALMNA
SCHEMBL4309660 0.89 SLC16A3 (0.49) ACHEALDH1A1SMN1; SMN2LMNAHTT
Bromide SCHEMBL4313274 0.88 CYP19A1 (0.61) ACHEALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL4299903 0.88 ACHE (0.49) ACHEALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL4304320 0.86 NPC1 (0.46) ACHEALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL4304396 0.84 MIF (0.45) ACHEALDH1A1SMN1; SMN2SLC16A3NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009124800-A1 CATIONIC DIRECT DYES AND AGENTS FOR DYEING FIBERS CONTAINING KERATIN HENKEL AG & CO. KGAA (DE) 2009-10-15 WO claimed
WO-2009124800-A1 CATIONIC DIRECT DYES AND AGENTS FOR DYEING FIBERS CONTAINING KERATIN HENKEL AG & CO. KGAA (DE) 2009-10-15 WO disclosed
WO-2009124800-A1 CATIONIC DIRECT DYES AND AGENTS FOR DYEING FIBERS CONTAINING KERATIN HENKEL AG & CO. KGAA (DE) 2009-10-15 WO disclosed