SCHEMBL8714949

SCHEMBL8714949

Cc1cccc(OCC(=O)NC2CCCc3ccccc3N2C(=O)c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.54
MEN1 O00255 7/20 0.54
MAPT P10636 5/20 0.54
ALDH1A1 P00352 4/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
LMNA P02545 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
TAOK1 Q7L7X3 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
SCHEMBL8718127 0.91 TAOK1 (0.54) KMT2AMEN1MAPTALDH1A1CYP1A2
SCHEMBL8714614 0.84 MEN1 (0.52) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL8718456 0.79 ALDH1A1 (0.48) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL8714945 0.78 KMT2A (0.57) KMT2AMEN1MAPTALDH1A1CYP1A2
SCHEMBL8717618 0.78 KMT2A (0.41) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL8713944 0.77 NPC1 (0.41) KMT2AALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL8715313 0.75 ALDH1A1 (0.47) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL8718493 0.74 ALDH1A1 (0.42) MAPTALDH1A1TDP1LMNAL3MBTL1
SCHEMBL7343810 0.73 ALDH1A1 (0.64) KMT2AMEN1MAPTALDH1A1CYP1A2
SCHEMBL8715144 0.72 CFD (0.39) LMNATP53

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