SCHEMBL8714945

SCHEMBL8714945

Cc1cccc(OCC(=O)NN2c3ccccc3CCCC2C(=O)c2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.57
MEN1 O00255 7/20 0.57
MAPT P10636 6/20 0.57
ALDH1A1 P00352 5/20 0.57
TDP1 Q9NUW8 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C19 P33261 1/20 0.57
MAPK1 P28482 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 2/20 0.43
PRMT5 O14744 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
SCHEMBL8718123 0.91 TAOK1 (0.51) KMT2AMEN1MAPTALDH1A1TDP1
SCHEMBL8714612 0.84 ALDH1A1 (0.51) KMT2AMEN1MAPTALDH1A1MAPK1
SCHEMBL8718454 0.79 ALDH1A1 (0.48) KMT2AMEN1MAPTALDH1A1MAPK1
SCHEMBL8714949 0.78 KMT2A (0.54) KMT2AMEN1MAPTALDH1A1TDP1
SCHEMBL8717614 0.78 KMT2A (0.41) KMT2AMEN1MAPTALDH1A1MAPK1
SCHEMBL8713941 0.77 POLB (0.41) KMT2AMEN1ALDH1A1NPSR1LMNA
SCHEMBL8715310 0.75 ALDH1A1 (0.46) KMT2AMEN1MAPTALDH1A1L3MBTL1
SCHEMBL8718492 0.74 MAPT (0.42) KMT2AMEN1MAPTALDH1A1TDP1
SCHEMBL8715140 0.72 HDAC3 (0.38) KMT2AMEN1ALDH1A1LMNATP53
SCHEMBL8716872 0.72 POLB (0.45) MAPTALDH1A1L3MBTL1TSHRLMNA

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-5753677-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed