SCHEMBL14194574

SCHEMBL14194574

CC[n+]1ccccc1C(C)=Cc1ccc(Br)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.37
MAPT P10636 4/20 0.37
MEN1 O00255 4/20 0.37
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
S1PR4 O95977 1/20 0.37
S1PR1 P21453 1/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
STAT3 P40763 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2C19 P33261 3/20 0.33
CYP2D6 P10635 2/20 0.33
KDM4E B2RXH2 3/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL12657232 0.85 NPC1 (0.41) KMT2AMAPTMEN1ALDH1A1RAB9A
SCHEMBL10104055 0.77 KDM4E (0.32) KMT2AMAPTMEN1ALDH1A1RAB9A
SCHEMBL12657235 0.70 APP (0.33) CYP2C19CYP2D6POLB
SCHEMBL17911707 0.69 MEN1 (0.40) KMT2AMAPTMEN1LMNANPSR1
SCHEMBL14393482 0.69 KMT2A (0.43) KMT2AMAPTMEN1LMNANPSR1
SCHEMBL5954016 0.69 ESR1 (0.53) KMT2AMAPTMEN1NPSR1ALDH1A1
SCHEMBL5954020 0.69 ESR1 (0.53) KMT2AMAPTMEN1NPSR1ALDH1A1
SCHEMBL19582788 0.69 CYP2D6 (0.41) KMT2AMAPTMEN1ALDH1A1RAB9A
SCHEMBL1724143 0.69 CYP2D6 (0.41) KMT2AMAPTMEN1LMNAALDH1A1
Iodide SCHEMBL5229857 0.68 MEN1 (0.42) KMT2AMAPTMEN1LMNANPSR1

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
US-7354694-B1 Styryl dye KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUKO (JP) 2008-04-08 US disclosed