SCHEMBL8017307

SCHEMBL8017307

Nc1ccccc1NCCNC(=O)CCN1C=C[N+]=C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.44
HDAC3 O15379 15/20 0.44
HDAC2 Q92769 9/20 0.44
HDAC10 Q969S8 6/20 0.44
HDAC6 Q9UBN7 6/20 0.44
NCOR2 Q9Y618 5/20 0.44
HDAC4 P56524 5/20 0.44
HDAC7 Q8WUI4 5/20 0.44
HDAC11 Q96DB2 5/20 0.44
HDAC8 Q9BY41 5/20 0.44
HDAC9 Q9UKV0 5/20 0.44
HDAC5 Q9UQL6 5/20 0.44

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
SCHEMBL7373085 0.76 SHMT2 (0.49) HDAC1HDAC3HDAC2HDAC10HDAC6
SCHEMBL7370267 0.76 ALDH1A1 (0.51)
SCHEMBL7374886 0.75 HDAC3 (0.54) HDAC1HDAC3HDAC2HDAC10HDAC6
SCHEMBL2973683 0.70 HDAC3 (0.47) HDAC1HDAC3HDAC2HDAC10HDAC6
SCHEMBL7366151 0.69 CA12 (0.62) HDAC1HDAC3HDAC2HDAC10HDAC6
SCHEMBL6201094 0.67 MAPT (0.52) HDAC1HDAC3HDAC2HDAC10HDAC6
SCHEMBL9320885 0.66 KAT2B (0.54) HDAC1HDAC3HDAC2HDAC10HDAC6
SCHEMBL3871501 0.66 HDAC1 (0.55) HDAC1HDAC3HDAC2HDAC10HDAC6
SCHEMBL13728016 0.65 ALDH1A1 (0.64) HDAC1HDAC3HDAC2HDAC10HDAC6
SCHEMBL7375160 0.64 KDM4E (0.49) HDAC1HDAC3HDAC2HDAC10HDAC6

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
EP-1056435-A1 DYEING METHOD USING AN ALIPHATIC CATIONIC AMINE AND A ALDEHYDE OR KETONE OR QUINONE OR DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVES L'OREAL (FR) 2000-12-06 EP disclosed
WO-2000038641-A1 DYEING METHOD USING AN ALIPHATIC CATIONIC AMINE AND A ALDEHYDE OR KETONE OR QUINONE OR DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVES L'OREAL (FR) 2000-07-06 WO disclosed