SCHEMBL29054168

SCHEMBL29054168

CN1c2ccccc2SC1c1ccc2ccccc2c1C(=O)Cc1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.40
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ HDAC9 Q9UKV0 1/20 0.38
▸ HDAC5 Q9UQL6 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL29023301 0.70 KDM4E (0.43) BCHEKMT2AMEN1ALDH1A1MAPT
SCHEMBL11886347 0.67 KDM4E (0.44) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL19061114 0.67 KDM4E (0.37) BCHEALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL28758480 0.66 KDM4E (0.41) BCHEKMT2AMEN1ALDH1A1MAPT
SCHEMBL27645758 0.66 BCHE (0.39) BCHETDP1ALDH1A1MAPTKDM4E
SCHEMBL31395722 0.65 BCHE (1.00) BCHETDP1KMT2AMEN1ALDH1A1
SCHEMBL11886351 0.64 MAOA (0.33) BCHEALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL11886360 0.63 MAOA (0.37) BCHEKMT2AMEN1ALDH1A1KDM4E
SCHEMBL9956288 0.62 TDP1 (0.65) TDP1KMT2AMEN1ALDH1A1MAPT
SCHEMBL3245846 0.62 TDP1 (0.70) BCHETDP1KMT2AMEN1MAPT

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
CN-116601191-A Method for producing single-layer retardation film, and polymer composition for forming single-layer retardation film 日产化学株式会社 2023-08-15 — — CN disclosed
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