SCHEMBL5195331

SCHEMBL5195331

COc1ccc(CNC(=O)CC2CN(Cc3cccnc3)CCN2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
POLB P06746 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SLC18A3 Q16572 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 2/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTR1A P08908 2/20 0.44
HTR7 P34969 2/20 0.44
THRB P10828 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL5193335 0.91 SMN1; SMN2 (0.49) GAAPOLBMEN1KMT2AALDH1A1
SCHEMBL5190900 0.87 POLB (0.49) GAAPOLBKMT2ANPSR1ALDH1A1
SCHEMBL5192336 0.83 ALDH1A1 (0.51) GAAMEN1KMT2ASLC18A3ALDH1A1
SCHEMBL5191569 0.77 ALDH1A1 (0.47) MEN1KMT2ASLC18A3ALDH1A1HTT
SCHEMBL5192491 0.74 ALDH1A1 (0.45) GAAMEN1KMT2AALDH1A1PKM
SCHEMBL5191850 0.74 LTA4H (0.49) POLBSLC18A3PKMSMN1; SMN2KDM4E
SCHEMBL5192443 0.74 ALDH1A1 (0.48) POLBMEN1KMT2AALDH1A1RAB9A
SCHEMBL5193432 0.74 MAPT (0.50) GAAMEN1KMT2APKMRAB9A
SCHEMBL5194091 0.73 FAAH (0.53) MEN1KMT2AALDH1A1PKMRAB9A
SCHEMBL5190018 0.73 PKM (0.49) GAAPOLBMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0968206-B8 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX INC (US) 2007-01-24 EP disclosed
EP-0968206-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 2000-01-05 EP disclosed
WO-1998037079-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 1998-08-27 WO disclosed