SCHEMBL14744258

SCHEMBL14744258

O=C(C[S@@+]([O-])c1cccc(Cl)c1)Nc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
ALDH1A1 P00352 3/20 0.47
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
RAB9A P51151 2/20 0.44
TP53 P04637 1/20 0.44
IDO1 P14902 4/20 0.42
CNR1 P21554 1/20 0.42
GAA P10253 1/20 0.42
P2RX1 P51575 1/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 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
SCHEMBL14743066 1.00 KMT2A (0.47) KMT2AMEN1ALDH1A1MAOAMAOB
SCHEMBL14743338 1.00 KMT2A (0.47) KMT2AMEN1ALDH1A1MAOAMAOB
SCHEMBL14743391 0.89 MEN1 (0.57) KMT2AMEN1ALDH1A1RAB9ALMNA
SCHEMBL14743449 0.86 KCNJ5 (0.48) KMT2AMEN1ALDH1A1P2RX1
SCHEMBL14757460 0.85 MEN1 (0.47) KMT2AMEN1ALDH1A1MAOAMAOB
SCHEMBL14757451 0.85 MEN1 (0.47) KMT2AMEN1ALDH1A1MAOAMAOB
SCHEMBL14743396 0.84 ADORA3 (0.51) KMT2AMEN1ALDH1A1LMNA
SCHEMBL14743511 0.84 MAPT (0.47) KMT2AMEN1ALDH1A1MAOBIDO1
SCHEMBL14743584 0.84 ADORA3 (0.51) KMT2AMEN1ALDH1A1LMNA
SCHEMBL14743056 0.83 KMT2A (0.49) KMT2AMEN1ALDH1A1TP53CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2758370-A1 PARP INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-07-30 EP claimed
WO-2013030205-A1 PARP INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 WO claimed
EP-2758370-A1 PARP INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-07-30 EP disclosed
WO-2013030205-A1 PARP INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 WO disclosed