SCHEMBL29690253

SCHEMBL29690253

Cc1cc(N)c(N)cc1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.55
TSHR P16473 3/20 0.55
MAPK1 P28482 1/20 0.55
CD44 P16070 1/20 0.48
ALDH1A1 P00352 8/20 0.44
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TDP1 Q9NUW8 5/20 0.42
PTK2 Q05397 1/20 0.39
ALOX15 P16050 2/20 0.39
UHRF1 Q96T88 1/20 0.39
CYP1A2 P05177 1/20 0.39
CASP7 P55210 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TP53 P04637 2/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TERT O14746 1/20 0.37
CASP1 P29466 1/20 0.36

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
SCHEMBL3046974 1.00 CYP3A4 (0.55) CYP3A4TSHRMAPK1CD44ALDH1A1
SCHEMBL1199708 0.88 CYP3A4 (0.63) CYP3A4TSHRMAPK1CD44ALDH1A1
SCHEMBL272760 0.88 CYP3A4 (0.63) CYP3A4TSHRMAPK1CD44ALDH1A1
SCHEMBL31387618 0.88 CYP3A4 (0.63) CYP3A4TSHRMAPK1CD44ALDH1A1
SCHEMBL9068413 0.86 CYP3A4 (0.46) CYP3A4TSHRMAPK1CD44ALDH1A1
SCHEMBL2321600 0.86 CYP3A4 (0.52) CYP3A4TSHRMAPK1CD44ALDH1A1
SCHEMBL10620546 0.83 CYP3A4 (0.43) CYP3A4TSHRMAPK1CD44ALDH1A1
SCHEMBL6366121 0.83 CYP3A4 (0.43) CYP3A4TSHRMAPK1CD44ALDH1A1
SCHEMBL3439643 0.82 CYP3A4 (0.63) CYP3A4TSHRMAPK1CD44ALDH1A1
SCHEMBL4728147 0.79 CD44 (0.52) CYP3A4TSHRMAPK1CD44ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114573805-A Preparation method of high-barrier transparent flame-retardant copolymerized nylon 浙江恒逸石化研究院有限公司 2022-06-03 CN claimed
CN-117428187-B Method for preparing carbon-coated copper by in-situ reduction of polydopamine-like copper oxide, carbon-coated copper and application 深圳大学 2026-05-19 CN disclosed
CN-114573805-B Preparation method of high-barrier transparent flame-retardant copolymerized nylon 浙江恒逸石化研究院有限公司 2024-03-08 CN disclosed
CN-117428187-A Method for preparing carbon-coated copper by in-situ reduction of polydopamine-like copper oxide, carbon-coated copper and application 深圳大学 2024-01-23 CN disclosed
CN-117203202-A Quinoxaline derivative and use thereof 黑钻治疗公司 2023-12-08 CN disclosed
CN-114573805-A Preparation method of high-barrier transparent flame-retardant copolymerized nylon 浙江恒逸石化研究院有限公司 2022-06-03 CN disclosed