SCHEMBL23786333

SCHEMBL23786333

CCN(CC)CCCNC(=O)c1cc(NC(=O)c2ccc(C3=C4C(=O)NC(c5ccc(C(=O)Nc6cc(C(=O)NCCCN(CC)CC)cc(C(=O)NCCCN(CC)CC)c6)cc5)=C4C(=O)N3)cc2)cc(C(=O)NCCCN(CC)CC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.48
HDAC2 Q92769 3/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
HDAC3 O15379 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
POLB P06746 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 2/20 0.45
NFKB1 P19838 1/20 0.45
KCNH2 Q12809 1/20 0.45
KMT2A Q03164 2/20 0.45
BLM P54132 2/20 0.44
CYP3A4 P08684 1/20 0.44
THRB P10828 1/20 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
SCHEMBL24942175 0.88 HDAC3 (0.47) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL21657768 0.87 POLB (0.38) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL12577581 0.86 DRD2 (0.58) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL13078928 0.82 POLB (0.56) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL23904108 0.81 TDP1 (0.64) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL24418099 0.81 LMNA (0.66) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL23786281 0.81 TDP1 (0.65) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL17880787 0.79 HDAC3 (0.47) HDAC4HDAC2HDAC8HDAC6HDAC3
SCHEMBL21609758 0.78 MAPK1 (0.48) POLBALDH1A1KMT2ASMN1; SMN2TSHR
SCHEMBL30038995 0.78 MAPK1 (0.48) POLBALDH1A1KMT2ASMN1; SMN2TSHR

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
US-20210278761-A1 COLORING PHOTOSENSITIVE COMPOSITION, FILM, COLOR FILTER, SOLID-STATE IMAGING ELEMENT, AND IMAGE DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2021-09-09 US disclosed