SCHEMBL14048943

SCHEMBL14048943

Cc1ccc(C(=O)Nc2ccc(Sc3ccccc3)c3c2C(=O)c2cc(Br)ccc2C3=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ CYP1A2 P05177 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ ALDH1A1 P00352 5/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ MMP14 P50281 1/20 0.44
▸ GPR35 Q9HC97 1/20 0.43
▸ MAPT P10636 4/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ DNMT3A Q9Y6K1 1/20 0.42
▸ HPGD P15428 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ HTT P42858 1/20 0.41

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
SCHEMBL13656877 0.90 L3MBTL1 (0.64) TDP1L3MBTL1CYP1A2TSHRALDH1A1
SCHEMBL11533939 0.82 MEN1 (0.64) TDP1L3MBTL1CYP1A2TSHRALDH1A1
SCHEMBL13660406 0.79 MEN1 (0.54) TDP1L3MBTL1CYP1A2TSHRALDH1A1
SCHEMBL8426998 0.77 MEN1 (0.65) TDP1L3MBTL1CYP1A2TSHRALDH1A1
SCHEMBL14049079 0.75 TRPV1 (0.52) TDP1L3MBTL1CYP1A2TSHRMEN1
SCHEMBL13656878 0.74 MEN1 (0.51) TDP1CYP1A2TSHRALDH1A1MEN1
SCHEMBL10886708 0.74 CSNK2A2 (0.54) TDP1L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL14030968 0.74 MAOA (0.57) ALDH1A1MEN1KMT2AMMP14MAPT
SCHEMBL14086603 0.72 CYP1A2 (0.49) TDP1L3MBTL1CYP1A2TSHRALDH1A1
SCHEMBL11139038 0.71 MEN1 (0.58) TDP1L3MBTL1CYP1A2TSHRALDH1A1

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-7435270-B2 Pigment/dye mixtures HUNTSMAN INTERNATIONAL LLC (US) 2008-10-14 — — US disclosed
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