SCHEMBL15263449

SCHEMBL15263449

CCN(CCC(=O)NC)c1cccc(N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ AOC3 Q16853 1/20 0.38
▸ GFER P55789 2/20 0.37
▸ MAPT P10636 6/20 0.37
▸ LMNA P02545 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 0.36
▸ KDM4E B2RXH2 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
SCHEMBL28132964 0.89 EZH2 (0.39) ALDH1A1GFERMAPTLMNAHTT
SCHEMBL16617204 0.87 ALDH1A1 (0.44) ALDH1A1CYP3A4AOC3GFERMAPT
SCHEMBL27993892 0.83 ALDH1A1 (0.41) ALDH1A1CYP3A4GFERMAPTLMNA
SCHEMBL15264207 0.79 SRC (0.44) ALDH1A1CYP3A4MAPTLMNAKDM4E
SCHEMBL3725884 0.77 ALDH1A1 (0.49) ALDH1A1CYP3A4GFERMAPTKDM4E
SCHEMBL11879900 0.77 FFAR1 (0.43) ALDH1A1CYP3A4MAPTLMNAHDAC3
SCHEMBL16617493 0.77 CYP3A4 (0.47) ALDH1A1CYP3A4GFERMAPTTSHR
SCHEMBL29931735 0.77 ALDH1A1 (0.59) ALDH1A1CYP3A4GFERMAPTMEN1
SCHEMBL1413227 0.77 ALDH1A1 (0.59) ALDH1A1CYP3A4GFERMAPTMEN1
Hydrochloric Acid SCHEMBL6946148 0.75 CYP3A4 (0.57) ALDH1A1CYP3A4GFERMAPTMEN1

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 9 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
EP-2828339-A1 CARBOXYLATE DYES Milliken & Company (US) 2015-01-28 — — EP disclosed
EP-2828340-A1 LAUNDRY CARE COMPOSITIONS CONTAINING DYES The Procter & Gamble Company (US) 2015-01-28 — — EP disclosed
CN-104220535-A Carboxylate dyes MILLIKEN & CO 2014-12-17 — — CN disclosed
WO-2013142495-A1 CARBOXYLATE DYES MILLIKEN & COMPANY (US) 2013-09-26 — — WO disclosed
WO-2013142486-A1 LAUNDRY CARE COMPOSITIONS CONTAINING DYES THE PROCTER & GAMBLE COMPANY (US) 2013-09-26 — — WO disclosed
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