SCHEMBL24712403

SCHEMBL24712403

C=C(C)C(=O)C(=C)CNCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.41
DPP7 Q9UHL4 2/20 0.41
CYP2C9 P11712 1/20 0.41
SPHK2 Q9NRA0 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL9316674 0.84 MEN1 (0.47) ALDH1A1HDAC8HDAC6MEN1KMT2A
SCHEMBL2073087 0.78 MEN1 (0.52) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL12809838 0.78 MEN1 (0.52) ALDH1A1HDAC8HDAC6MEN1KMT2A
SCHEMBL24584923 0.78 TXNRD1 (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
Acetic Acid SCHEMBL10842577 0.76 HDAC8 (0.60) HDAC8HDAC6MEN1KMT2ATDP1
SCHEMBL156664 0.74 MEN1 (0.56) ALDH1A1HDAC8HDAC6MEN1KMT2A
SCHEMBL1913535 0.74 MEN1 (0.56) ALDH1A1HDAC8HDAC6MEN1KMT2A
SCHEMBL5181873 0.74 THRB (0.56) ALDH1A1HDAC8HDAC6MEN1KMT2A
Acetone SCHEMBL8184954 0.74 HDAC8 (0.58) HDAC8HDAC6MEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL9144926 0.73 MEN1 (0.47) ALDH1A1HDAC8MEN1KMT2ATDP1

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
WO-2022232195-A2 COVALENT APTAMERS UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-11-03 WO disclosed