SCHEMBL10690890

SCHEMBL10690890

C=CCCC(=O)Nc1ccccc1CC=C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.49
HDAC1 Q13547 4/20 0.49
HDAC2 Q92769 3/20 0.47
HDAC4 P56524 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
NAMPT P43490 1/20 0.46
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 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
SCHEMBL10692302 0.84 ALDH1A1 (0.47) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL4207495 0.83 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL7914371 0.80 KDM4E (0.44) HDAC3HDAC1ALDH1A1HPGDPOLB
SCHEMBL9064516 0.80 ALDH1A1 (0.43) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL10690757 0.80 MEN1 (0.47) NPC1ALDH1A1HPGDMEN1KMT2A
SCHEMBL30226017 0.79 HDAC3 (0.60) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL28997259 0.79 RAB9A (0.56) NAMPTNPC1ALDH1A1MEN1KMT2A
SCHEMBL21442788 0.79 HDAC1 (0.66) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL23060403 0.79 GAA (0.63) ALDH1A1MEN1KMT2APOLBGAA
SCHEMBL12900197 0.79 TGM2 (0.50) HDAC3HDAC1ALDH1A1POLBMAPT

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
US-4721797-A Process for the preparation of N-acyl-N-alkyl-2,6-dialkyl-3-chloroanilines CIBA-GEIGY CORPORATION (US) 1988-01-26 US disclosed
US-4401833-A Process for the preparation of 4-chloro-2,6-dialkylanilines BAYER AKTIENGESELLSCHAFT (DE) 1983-08-30 US disclosed