SCHEMBL5015803

SCHEMBL5015803

FC(F)(F)c1ccc(C2=NOC3(CCN(OC(=S)NCC4CCCCC4)CC3)C2)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
MCHR1 Q99705 1/20 0.33
ADAMTS4 O75173 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
HDAC4 P56524 1/20 0.33
MGLL Q99685 1/20 0.33
MLYCD O95822 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 1/20 0.32

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
SCHEMBL5012239 0.91 KMT2A (0.37) KMT2AMEN1
SCHEMBL5011250 0.88 KMT2A (0.38) KMT2AMEN1
SCHEMBL5015734 0.88 KMT2A (0.44) KMT2AMEN1HTT
SCHEMBL5015792 0.88 POLB (0.40) KMT2AMEN1HTT
SCHEMBL5130345 0.87 SMN1; SMN2 (0.37) KMT2AMEN1HTTMCHR1MLYCD
SCHEMBL5011104 0.86 LMNA (0.43) KMT2AMEN1HTTHDAC4
SCHEMBL5012863 0.86 LMNA (0.43) KMT2AMEN1HTTHDAC4
SCHEMBL5012908 0.85 LMNA (0.42) KMT2AMEN1HTT
SCHEMBL5015831 0.80 BRAF (0.40) KMT2A
SCHEMBL5012897 0.79 TRPV1 (0.42) KMT2AMEN1HTTHDAC4

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-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP claimed
EP-1888596-A1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS Grünenthal GmbH (DE) 2008-02-20 EP claimed
WO-2006122770-A1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS Grünenthal GmbH (DE) 2006-11-23 WO claimed
EP-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP disclosed