SCHEMBL23864375

SCHEMBL23864375

C=Cc1ccccc1C(=C)NCc1ccc(C(=C)N)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 3/20 0.37
HDAC1 Q13547 5/20 0.36
HDAC6 Q9UBN7 4/20 0.36
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
NSD2 O96028 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
APEX1 P27695 1/20 0.35
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33
POLB P06746 2/20 0.33
KMT2A Q03164 2/20 0.33

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
SCHEMBL23864257 0.81 CYP2C9 (0.35) HDAC2HDAC1HDAC6HDAC3HDAC4
SCHEMBL23864683 0.76 NR1H4 (0.35) ALDH1A1HPGDKDM4ERPS6KB1KMT2A
SCHEMBL23864208 0.76 HPGD (0.32) HDAC7ALDH1A1HPGDKDM4EAPEX1
SCHEMBL23864738 0.72 HPGD (0.34) HDAC7ALDH1A1HPGDKDM4EAPEX1
SCHEMBL23864239 0.71
SCHEMBL20724985 0.71 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL23864210 0.70 HPGD (0.35) ALDH1A1HPGDKDM4EKMT2AGAA
SCHEMBL23864302 0.69 BCHE (0.31) HDAC8
SCHEMBL23864573 0.69
SCHEMBL12525977 0.69 NSD2 (0.54) NSD2ALDH1A1HPGDKDM4EPOLB

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
EP-2968330-B1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS SCRIPPS RESEARCH INST (US) 2021-09-29 EP disclosed