SCHEMBL28765035

SCHEMBL28765035

CCCCC(N)Nc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 2/20 0.41
AOC3 Q16853 1/20 0.40
HDAC3 O15379 3/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC4 P56524 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39

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
SCHEMBL28766902 0.94 CSNK1E (0.45) TDP1ALDH1A1MEN1MAPTMAPK1
SCHEMBL4165020 0.88 TDP1 (0.46) TDP1ALDH1A1MAPK1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL8189467 0.86 TDP1 (0.45) TDP1ALDH1A1MAPK1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL10535811 0.86 TDP1 (0.45) TDP1ALDH1A1MAPK1KMT2ASMN1; SMN2
SCHEMBL27826007 0.81 DPP4 (0.45) TDP1ALDH1A1MEN1MAPTMAPK1
SCHEMBL1072933 0.79 TDP1 (0.50) TDP1ALDH1A1MEN1MAPK1KMT2A
SCHEMBL30128671 0.79 HRH1 (0.42) TDP1
SCHEMBL1453959 0.78 ALDH1A1 (0.50) TDP1ALDH1A1MEN1MAPTMAPK1
SCHEMBL25124425 0.77 ENPP2 (0.43) TDP1ALDH1A1MEN1MAPTMAPK1
SCHEMBL8436767 0.77 ALDH1A1 (0.45) TDP1ALDH1A1MEN1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114507164-B Gemini surfactant, preparation method, composition and application thereof 中国石油天然气股份有限公司 2023-10-24 CN claimed
CN-114507164-A Gemini surfactant, preparation method, composition and application thereof 中国石油天然气股份有限公司 2022-05-17 CN claimed
CN-114507164-B Gemini surfactant, preparation method, composition and application thereof 中国石油天然气股份有限公司 2023-10-24 CN disclosed
CN-114507164-A Gemini surfactant, preparation method, composition and application thereof 中国石油天然气股份有限公司 2022-05-17 CN disclosed