SCHEMBL22476552

SCHEMBL22476552

CCCN(CCC)c1cc(NC(C)=O)c(/N=N/c2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.36
ALDH1A1 P00352 8/20 0.36
LMNA P02545 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
POLB P06746 2/20 0.36
GALR2 O43603 1/20 0.36
MITF O75030 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HPGD P15428 1/20 0.36
XBP1 P17861 1/20 0.36
CCR6 P51684 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 5/20 0.35
MAPT P10636 4/20 0.35
PKM P14618 1/20 0.35
ALDH3A1 P30838 1/20 0.35
MEN1 O00255 2/20 0.33
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL24405254 0.93 ALDH1A1 (0.36) HCAR3ALDH1A1LMNANPSR1POLB
SCHEMBL22474142 0.93 ALDH1A1 (0.37) HCAR3ALDH1A1LMNANPSR1POLB
SCHEMBL24405245 0.92 HCAR3 (0.35) HCAR3ALDH1A1LMNANPSR1POLB
SCHEMBL24405343 0.92 MAPT (0.35) ALDH1A1LMNANPSR1POLBGALR2
SCHEMBL24405250 0.92 KMT2A (0.35) ALDH1A1LMNANPSR1POLBGALR2
SCHEMBL24405340 0.91 ALDH1A1 (0.36) ALDH1A1LMNANPSR1POLBGALR2
SCHEMBL24405263 0.91 ALDH1A1 (0.39) ALDH1A1LMNANPSR1POLBGALR2
SCHEMBL24405467 0.90 SMN1; SMN2 (0.36) ALDH1A1LMNANPSR1POLBGALR2
SCHEMBL22474174 0.90 ALDH1A1 (0.35) ALDH1A1LMNANPSR1POLBGALR2
SCHEMBL22474171 0.90 ALDH1A1 (0.34) ALDH1A1LMNANPSR1POLBGALR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3715423-A1 HIGH WET FAST DISPERSE DYE MIXTURES OF N-[4-(5-FLUORO-2,4-DINITRO-PHENYLAZO)-PHENYL]-AMINE DERIVATIVES AND N-[4-(4-NITRO-PHENYLAZO)-PHENYL]-AMINE DERIVATIVES DyStar Colours Distribution GmbH (DE) 2020-09-30 EP disclosed