SCHEMBL16618009

SCHEMBL16618009

CCN(CCCOC)c1cccc(N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
CYP3A4 P08684 4/20 0.40
TSHR P16473 3/20 0.39
EZH2 Q15910 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
MAPK1 P28482 2/20 0.37
PSMD14 O00487 1/20 0.37
RECQL P46063 1/20 0.37
GFER P55789 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 1/20 0.37
S100B P04271 1/20 0.36
KDM4E B2RXH2 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
HTR7 P34969 1/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL16617551 0.91 CYP3A4 (0.42) ALDH1A1CYP3A4TSHRTDP1MAPK1
SCHEMBL16617470 0.90 TSHR (0.41) ALDH1A1CYP3A4TSHRMAPK1TP53
SCHEMBL16617580 0.89 CYP3A4 (0.37) ALDH1A1CYP3A4TSHRMAPK1RECQL
SCHEMBL28132964 0.86 EZH2 (0.39) ALDH1A1TSHREZH2MAPK1GFER
SCHEMBL16618153 0.84 CYP3A4 (0.44) ALDH1A1CYP3A4TSHRTDP1MAPK1
SCHEMBL16617376 0.83 TSHR (0.45) ALDH1A1CYP3A4TSHRTDP1MAPK1
SCHEMBL10350091 0.82 CYP3A4 (0.41) ALDH1A1CYP3A4TSHRRECQLTP53
SCHEMBL16618123 0.81 TSHR (0.47) ALDH1A1CYP3A4TSHRTDP1MAPK1
SCHEMBL16617890 0.81 TSHR (0.47) ALDH1A1CYP3A4TSHRTDP1MAPK1
SCHEMBL25193473 0.81 ALDH1A1 (0.60) ALDH1A1CYP3A4TSHREZH2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2828339-B1 CARBOXYLATE DYES MILLIKEN & CO (US) 2018-10-31 EP disclosed
US-9187717-B2 Carboxylate dyes MILLIKEN & COMPANY (US) 2015-11-17 US disclosed
US-20150099869-A1 Carboxylate Dyes MILLIKEN & COMPANY 2015-04-09 US disclosed
CN-104350106-A Laundry care compositions containing dyes PROCTER & GAMBLE 2015-02-11 CN disclosed
CN-104220535-A Carboxylate dyes MILLIKEN & CO 2014-12-17 CN disclosed