SCHEMBL27998613

SCHEMBL27998613

Cc1cccc(-c2c(C)cccc2N)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.50
▸ PIK3CA P42336 2/20 0.50
▸ DPP4 P27487 1/20 0.50
▸ CD44 P16070 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.46
▸ ADORA2A P29274 3/20 0.42
▸ PTPRC P08575 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ NUDT1 P36639 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ TRPA1 O75762 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ MYC P01106 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ PIK3CD O00329 1/20 0.38
▸ PIK3CB P42338 1/20 0.38

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
SCHEMBL6930545 0.91 DPP4 (0.46) CYP3A4PIK3CADPP4CD44TSHR
SCHEMBL3786474 0.91 CYP3A4 (0.56) CYP3A4PIK3CADPP4CD44TSHR
SCHEMBL30839808 0.91 CYP3A4 (0.56) CYP3A4PIK3CADPP4CD44TSHR
SCHEMBL31607703 0.91 CYP3A4 (0.56) CYP3A4PIK3CADPP4CD44TSHR
SCHEMBL2940282 0.86 TRPA1 (0.52) CYP3A4PIK3CADPP4CD44TSHR
SCHEMBL11741027 0.85 MYC (0.48) CYP3A4PIK3CADPP4CD44TSHR
SCHEMBL22675646 0.84 CYP3A4 (0.59) CYP3A4PIK3CADPP4CD44TSHR
SCHEMBL9678804 0.84 CYP3A4 (0.54) CYP3A4PIK3CADPP4CD44TSHR
SCHEMBL3794845 0.84 ALDH1A1 (0.55) CYP3A4PIK3CADPP4CD44TSHR
SCHEMBL3790040 0.82 CD44 (0.62) CYP3A4PIK3CADPP4CD44TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104262992-B High alkaline-resisting deep red dispersed dye and application thereof PENGLAI JIAXIN DYES & CHEMICAL CO., LTD. (CN) 2015-09-30 — — CN disclosed
CN-104262992-A Bright red disperse dye with high alkaline resistance and application of bright red disperse dye PENGLAI JIAXIN DYES & CHEMICAL CO LTD 2015-01-07 — — CN disclosed
Send feedback