SCHEMBL11511112

SCHEMBL11511112

Brc1ccc(NCc2ccc(-c3ccccc3)cc2)c(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ HDAC8 Q9BY41 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HPGD P15428 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ KDM4C Q9H3R0 1/20 0.43
▸ KDM5B Q9UGL1 1/20 0.43
▸ FFAR1 O14842 3/20 0.42
▸ GABRG2 P18507 1/20 0.42
▸ GABRB3 P28472 1/20 0.42
▸ GABRA5 P31644 1/20 0.42
▸ GABRA3 P34903 1/20 0.42
▸ POLB P06746 1/20 0.42

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
SCHEMBL7349396 0.90 KMT2A (0.51) KMT2AL3MBTL1MAPTMEN1HDAC8
SCHEMBL11513508 0.87 KMT2A (0.47) KMT2AL3MBTL1MAPTMEN1HDAC8
SCHEMBL11511132 0.83 HSD17B10 (0.47) KMT2AL3MBTL1MAPTMEN1HDAC8
SCHEMBL11610221 0.80 KMT2A (0.49) KMT2AL3MBTL1MAPTMEN1ALDH1A1
SCHEMBL11513066 0.79 HDAC8 (0.44) KMT2AL3MBTL1MAPTMEN1HDAC8
SCHEMBL11510347 0.76 FFAR1 (0.63) KMT2AL3MBTL1MAPTMEN1ALDH1A1
SCHEMBL11512300 0.75 HDAC8 (0.44) KMT2AL3MBTL1MAPTMEN1HDAC8
SCHEMBL11510710 0.75 FFAR1 (0.57) KMT2AMAPTMEN1FFAR1GABRG2
SCHEMBL18666372 0.75 MEN1 (0.56) KMT2AMAPTMEN1ALDH1A1MAPK1
SCHEMBL11511152 0.75 FFAR1 (0.53) KMT2AMAPTMEN1HDAC8ALDH1A1

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-4152452-A N-BENZYLANILINE AND DERIVATIVES WILLIAM H. RORER, INC. (US) 1979-05-01 — — US disclosed
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