SCHEMBL16175653

SCHEMBL16175653

Cc1ccc(CNC(=O)ON2CCC3(CC2)CC(c2ccccc2)=NO3)cc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
TP53 P04637 1/20 0.43
MCHR1 Q99705 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL5064863 0.96 KMT2A (0.52) KMT2AMCHR1SMN1; SMN2MEN1L3MBTL1
SCHEMBL16175692 0.95 KMT2A (0.50) KMT2ATP53MCHR1MEN1
SCHEMBL5012838 0.93 KMT2A (0.47) KMT2AATM
SCHEMBL16175419 0.91 KMT2A (0.47) KMT2ATP53MEN1
SCHEMBL16175620 0.91 KMT2A (0.47) KMT2AMEN1L3MBTL1
SCHEMBL16175753 0.90 MCHR1 (0.47) KMT2AMCHR1SMN1; SMN2MEN1L3MBTL1
SCHEMBL5011245 0.89 KMT2A (0.48) KMT2ATP53MEN1
SCHEMBL16175761 0.89 KMT2A (0.48) KMT2ATP53MCHR1SMN1; SMN2MEN1
SCHEMBL16175723 0.88 KMT2A (0.47) KMT2ATP53ATM
SCHEMBL16175720 0.87 KMT2A (0.45) KMT2ATP53SMN1; SMN2MEN1

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-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP claimed
EP-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP disclosed