SCHEMBL9052232

SCHEMBL9052232

CCCCC(=O)N1CC[C@H](SN=O)[C@@]1(C)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 8/20 0.35
GNAI1 P63096 8/20 0.35
GNAO1 P09471 7/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.32
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL9056774 0.68 CHRNB2 (0.33) POLB
SCHEMBL9052242 0.64 L3MBTL1 (0.35) MEN1KMT2APOLBMAPTL3MBTL1
SCHEMBL30845989 0.63 MEN1 (0.40) GNAI3GNAI1GNAO1MEN1KMT2A
SCHEMBL28369766 0.60 GNAI3 (0.43) GNAI3GNAI1GNAO1MEN1KMT2A
SCHEMBL852318 0.60 GNAI3 (0.46) GNAI3GNAI1GNAO1MEN1KMT2A
SCHEMBL9224930 0.59 GNAI3 (0.84) GNAI3GNAI1GNAO1MEN1KMT2A
SCHEMBL27859371 0.58 GNAI3 (0.50) GNAI3GNAI1GNAO1MEN1KMT2A
SCHEMBL22874721 0.57 GNAI3 (0.57) GNAI3GNAI1GNAO1MEN1KMT2A
SCHEMBL9280678 0.57 GNAI3 (0.57) GNAI3GNAI1GNAO1MEN1KMT2A
SCHEMBL673399 0.57

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
WO-1996031217-A9 INHIBITING RETROVIRAL REPLICATION 1996-11-28 WO claimed
WO-1996002241-A9 USE OF NITROGEN OXIDE SPECIES AND ADDUCTS TO INHIBIT SKELETAL MUSCLE CONTRACTION 1996-02-29 WO claimed
WO-1996038136-A1 LOCALIZED USE OF NITRIC OXIDE-ADDUCTS TO PREVENT INTERNAL TISSUE DAMAGE NITROMED INC (US) 1996-12-05 WO disclosed
WO-1996035416-A1 LOCALIZED USE OF NITRIC OXIDEADDUCTS TO PREVENT INTERNAL TISSUE DAMAGE NITROMED, INC. (US) 1996-11-14 WO disclosed