SCHEMBL9703067

SCHEMBL9703067

CC(=O)Cn1cc(Cl)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
POLB P06746 3/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
STAT3 P40763 2/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
CREBBP Q92793 1/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
HTT P42858 2/20 0.43
CYP1A2 P05177 1/20 0.43
RAB9A P51151 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
SCHEMBL8530610 0.81 KMT2A (0.69) KMT2AMEN1POLBALDH1A1SMN1; SMN2
SCHEMBL8530608 0.80 KMT2A (0.48) KMT2AMEN1POLBALDH1A1SMN1; SMN2
SCHEMBL28555490 0.79 CDC25A (0.51) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL9700697 0.78 BRCA1 (0.49) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL13980997 0.76 STAT3 (0.76) KMT2AMEN1POLBALDH1A1SMN1; SMN2
SCHEMBL28985493 0.76 HTR2A (0.58) KMT2AMEN1ALDH1A1RAB9A
SCHEMBL13807683 0.75 L3MBTL1 (0.52) KMT2AMEN1POLBALDH1A1SMN1; SMN2
SCHEMBL9701410 0.74 PTGDR2 (0.49) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL15333488 0.74 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL29037094 0.74 NOTUM (0.62) KMT2AMEN1POLBALDH1A1SMN1; 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-5132319-A Antiasthmatic, antiinflammatory, antiallergen and cytoprotective agents MERCK FROSST CANADA, INC. (CA) 1992-07-21 US disclosed