SCHEMBL9034906

SCHEMBL9034906

CC(=O)c1cccc(C2CC2NC(=O)Nc2ccc(Cl)cn2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
CNR1 P21554 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 6/20 0.47
NPC1 O15118 4/20 0.47
PTK2 Q05397 1/20 0.45
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
PKM P14618 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.43
IDH1 O75874 1/20 0.43
MAPT P10636 1/20 0.42
MAPK1 P28482 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL6902360 1.00 MEN1 (0.49) MEN1KMT2ACNR1L3MBTL1LMNA
SCHEMBL9032140 0.85 CNR1 (0.50) MEN1KMT2ACNR1L3MBTL1LMNA
SCHEMBL6907422 0.85 CNR1 (0.50) MEN1KMT2ACNR1L3MBTL1LMNA
SCHEMBL9033095 0.84 CNR1 (0.67) MEN1KMT2ACNR1L3MBTL1LMNA
SCHEMBL6900498 0.84 CNR1 (0.67) MEN1KMT2ACNR1L3MBTL1LMNA
SCHEMBL6901308 0.82 CNR1 (0.47) MEN1KMT2ACNR1L3MBTL1LMNA
SCHEMBL9034699 0.82 CNR1 (0.47) MEN1KMT2ACNR1L3MBTL1LMNA
SCHEMBL6907226 0.82 KMT2A (0.53) MEN1KMT2ACNR1L3MBTL1POLB
SCHEMBL9033725 0.82 KMT2A (0.53) MEN1KMT2ACNR1L3MBTL1POLB
SCHEMBL6906200 0.77 SMN1; SMN2 (0.56) MEN1KMT2ACNR1L3MBTL1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0706514-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1996-04-17 EP disclosed
WO-1995006034-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1995-03-02 WO disclosed