SCHEMBL4302791

SCHEMBL4302791

C[n+]1ccc(-c2cc3ccc(N(Cc4ccccc4)Cc4ccccc4)cc3oc2=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.53
CYP19A1 P11511 1/20 0.52
MAPT P10636 4/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
MEN1 O00255 2/20 0.51
USP2 O75604 2/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
BCHE P06276 2/20 0.49
NR1H4 Q96RI1 1/20 0.49
SLC16A3 O15427 1/20 0.48
SLC16A1 P53985 1/20 0.48
BACE1 P56817 1/20 0.47
MIF P14174 1/20 0.46
TP53 P04637 1/20 0.45

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
SCHEMBL4306534 0.90 SLC16A3 (0.61) ACHECYP19A1MAPTNPC1RAB9A
SCHEMBL4299903 0.88 ACHE (0.49) ACHECYP19A1MAPTNPC1RAB9A
SCHEMBL4306498 0.87 ACHE (0.48) ACHECYP19A1MAPTNPC1RAB9A
SCHEMBL4298669 0.85 CYP19A1 (0.73) CYP19A1MAPTNPC1RAB9AMEN1
SCHEMBL4300887 0.84 ACHE (0.46) ACHECYP19A1MAPTNPC1RAB9A
Bromide SCHEMBL4301866 0.84 CYP19A1 (0.71) CYP19A1MAPTNPC1RAB9AMEN1
SCHEMBL4311283 0.83 CYP19A1 (0.55) CYP19A1MAPTNPC1RAB9AMEN1
SCHEMBL4307998 0.81 SLC16A3 (0.52) CYP19A1MAPTNPC1RAB9AMEN1
SCHEMBL4301892 0.81 CYP19A1 (0.62) CYP19A1MAPTNPC1RAB9AMEN1
Bromide SCHEMBL4299197 0.80 SLC16A3 (0.51) CYP19A1MAPTNPC1RAB9AMEN1

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