SCHEMBL14049079

SCHEMBL14049079

CCCCc1ccc(C(=O)Nc2ccc(Sc3ccccc3)c3c2C(=O)c2ccccc2C3=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.52
▸ PLK1 P53350 13/20 0.48
▸ PLK3 Q9H4B4 7/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ MMP14 P50281 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TDP1 Q9NUW8 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ MAPT P10636 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ TSHR P16473 1/20 0.43

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
SCHEMBL11533939 0.85 MEN1 (0.64) MEN1MMP14KMT2ATDP1L3MBTL1
SCHEMBL13656877 0.84 L3MBTL1 (0.64) MEN1MMP14KMT2ATDP1L3MBTL1
SCHEMBL13660406 0.82 MEN1 (0.54) MEN1MMP14KMT2ATDP1L3MBTL1
SCHEMBL9510385 0.81 CYP1A2 (0.64) TRPV1PLK1PLK3MEN1MMP14
SCHEMBL14030964 0.78 TERT (0.53) MEN1KMT2AL3MBTL1MAPTCYP1A2
SCHEMBL21969116 0.78 MAPT (0.42) TRPV1MEN1KMT2ATDP1L3MBTL1
SCHEMBL14030968 0.77 MAOA (0.57) MEN1MMP14KMT2ANPSR1MAPT
SCHEMBL10395084 0.76 TRPV1 (0.53) TRPV1PLK1PLK3MEN1KMT2A
SCHEMBL22827088 0.76 MAPT (0.60) TRPV1MEN1KMT2AMAPT
SCHEMBL14048943 0.75 TDP1 (0.55) MEN1MMP14KMT2ATDP1L3MBTL1

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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