SCHEMBL16618153

SCHEMBL16618153

CCCCN(CC)c1cccc(N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.44
ALDH1A1 P00352 4/20 0.44
TSHR P16473 3/20 0.42
TDP1 Q9NUW8 3/20 0.41
RECQL P46063 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 2/20 0.41
PSMD14 O00487 1/20 0.41
GFER P55789 1/20 0.41
S100B P04271 1/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.38
TP53 P04637 1/20 0.37
CASP1 P29466 2/20 0.37
HTR7 P34969 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NLRP3 Q96P20 1/20 0.36

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
SCHEMBL16617376 0.95 TSHR (0.45) CYP3A4ALDH1A1TSHRTDP1RECQL
SCHEMBL16617890 0.93 TSHR (0.47) CYP3A4ALDH1A1TSHRTDP1RECQL
SCHEMBL16618123 0.93 TSHR (0.47) CYP3A4ALDH1A1TSHRTDP1RECQL
SCHEMBL1498625 0.93 TSHR (0.45) CYP3A4ALDH1A1TSHRRECQLMAPT
SCHEMBL16617357 0.90 TSHR (0.42) CYP3A4ALDH1A1TSHRRECQLMAPT
SCHEMBL16617493 0.89 CYP3A4 (0.47) CYP3A4ALDH1A1TSHRTDP1RECQL
SCHEMBL3664908 0.88 TSHR (0.47) CYP3A4ALDH1A1TSHRRECQLMAPT
SCHEMBL1498662 0.86 TSHR (0.50) CYP3A4ALDH1A1TSHRRECQLKDM4E
SCHEMBL1413227 0.85 ALDH1A1 (0.59) CYP3A4ALDH1A1TSHRTDP1RECQL
SCHEMBL29931735 0.85 ALDH1A1 (0.59) CYP3A4ALDH1A1TSHRTDP1RECQL

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