SCHEMBL29953554

SCHEMBL29953554

CN(C)c1c(Cl)cccc1NC(=O)CCC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.52
HTT P42858 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP2C19 P33261 1/20 0.48
POLB P06746 2/20 0.47
MAPK1 P28482 2/20 0.46
THRB P10828 1/20 0.46
SHMT2 P34897 1/20 0.46
ALDH1A1 P00352 2/20 0.44
G6PD P11413 1/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL29953275 0.92 KMT2A (0.54) KDM4ESMN1; SMN2HTTMEN1KMT2A
SCHEMBL29955215 0.88 MEN1 (0.53) KDM4EHTTMEN1KMT2APOLB
SCHEMBL2551665 0.82 KDM4E (0.48) KDM4ESMN1; SMN2MEN1KMT2APOLB
SCHEMBL7824542 0.80 MEN1 (0.72) KDM4ESMN1; SMN2HTTMEN1KMT2A
SCHEMBL13901436 0.80 KMT2A (0.74) KDM4EHTTMEN1KMT2ACYP2C19
SCHEMBL29953645 0.77 KDM4E (0.40) KDM4ESMN1; SMN2HTTMEN1KMT2A
SCHEMBL29951744 0.76 CYP2C19 (0.56) KDM4ESMN1; SMN2MEN1KMT2ACYP2C19
SCHEMBL29951552 0.74 LPAR2 (0.55) KDM4ESMN1; SMN2HTTMEN1KMT2A
SCHEMBL29953387 0.73 AKR1B1 (0.39) KDM4ESMN1; SMN2MEN1KMT2ACYP2C19
SCHEMBL11887605 0.72 MEN1 (0.57) KDM4EHTTMEN1KMT2APOLB

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed