SCHEMBL5573183

SCHEMBL5573183

Cc1ccc(-c2c(N)ccc(Br)c2-c2ccc(C)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
TDP1 Q9NUW8 4/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 2/20 0.41
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
ACHE P22303 2/20 0.37
HEXA P06865 1/20 0.36
HEXB P07686 1/20 0.36
IKBKB O14920 1/20 0.34
CHUK O15111 1/20 0.34
KDM4E B2RXH2 2/20 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
SCHEMBL18462109 0.87 ALDH1A1 (0.48) ALDH1A1TDP1L3MBTL1SMN1; SMN2TP53
SCHEMBL4248242 0.87 TDP1 (0.48) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL27642689 0.78 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4MAPTMEN1
SCHEMBL353048 0.78 TDP1 (0.41) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL27607671 0.73 MMP3 (0.48) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL27458150 0.73 CYP3A4 (0.48) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL1043440 0.73 ALDH1A1 (0.43) ALDH1A1TDP1TSHRMAPTMEN1
SCHEMBL25393964 0.72 TDP1 (0.39) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL870117 0.72 SMN1; SMN2 (0.35) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL5220216 0.72 CA2 (0.40) ALDH1A1TDP1CYP3A4TSHRMAPT

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-20070208162-A1 Electroluminescent Polymer and Organic Electroluminescent Device SONY CHEMICAL & INFORMATION DEVICE CORPORATION (JP) 2007-09-06 US disclosed