SCHEMBL29957337

SCHEMBL29957337

Cc1cc(Cl)c(C=O)c(C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
RAB9A P51151 3/20 0.36
MAPT P10636 5/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
NR4A2 P43354 1/20 0.33
NPC1 O15118 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 3/20 0.33
POLB P06746 2/20 0.33
TP53 P04637 1/20 0.33
MPI P34949 1/20 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
SCHEMBL25083506 1.00 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ATDP1LMNA
SCHEMBL16463746 0.83 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ATDP1LMNA
SCHEMBL2630762 0.83 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ATDP1LMNA
SCHEMBL30592272 0.83 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ATDP1LMNA
SCHEMBL22306049 0.79 LMNA (0.36) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL29951488 0.78 CYP1A2 (0.38) ALDH1A1MEN1KMT2ATDP1LMNA
SCHEMBL6160521 0.78 CYP1A2 (0.38) ALDH1A1MEN1KMT2ATDP1LMNA
SCHEMBL29951145 0.75 NCF1 (0.37) ALDH1A1MEN1KMT2ATDP1LMNA
SCHEMBL3175002 0.75 NCF1 (0.37) ALDH1A1MEN1KMT2ATDP1LMNA
SCHEMBL18556089 0.74 L3MBTL1 (0.48) ALDH1A1MEN1KMT2ATDP1LMNA

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