SCHEMBL11635904

SCHEMBL11635904

CCSC(C)(C)C(=O)C(C(=O)Nc1cc(NC(=O)CCCOc2ccc(C(C)(C)CC)cc2C(C)(C)CC)ccc1Cl)n1nc2ccc(C)cc2n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.35
MEN1 O00255 7/20 0.34
KMT2A Q03164 7/20 0.34
ALDH1A1 P00352 6/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
MAPK1 P28482 3/20 0.33
NPSR1 Q6W5P4 3/20 0.33
POLB P06746 2/20 0.33
HTT P42858 2/20 0.33
GLA P06280 1/20 0.33
UBE2N P61088 1/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
LMNA P02545 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
CYP1A2 P05177 1/20 0.32
TP53 P04637 1/20 0.31
STAT3 P40763 1/20 0.31

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
SCHEMBL9344152 0.83 MEN1 (0.38) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL11631287 0.82 MEN1 (0.34) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9340255 0.82 MEN1 (0.37) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL11631333 0.81 MEN1 (0.34) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL11632480 0.80 POLB (0.41) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL11633266 0.79 NPC1 (0.37) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7698979 0.78 MEN1 (0.44) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL11635066 0.77 ALDH1A1 (0.39) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL11820029 0.76 KMT2A (0.37) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL11634679 0.76 KMT2A (0.37) MAPTMEN1KMT2AALDH1A1SMN1; SMN2

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-4106942-A COMPOUNDS CONTAINING SULFIDE, KETONE, AND AMIDE GROUPS FUJI PHOTO FILM CO., LTD. (JP) 1978-08-15 US disclosed