SCHEMBL16175673

SCHEMBL16175673

O=C(Nc1ccccc1Cl)ON1CCC2(CC1)CC(c1ccccc1)=NO2

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 2/20 0.40
ATM Q13315 1/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MRGPRX1 Q96LB2 2/20 0.38
FAAH O00519 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL16175727 0.94 KMT2A (0.41) KMT2AMEN1GAAATMPOLB
SCHEMBL16175752 0.92 KMT2A (0.42) KMT2AMEN1GAAATM
SCHEMBL16175697 0.90 TRPM8 (0.39) KMT2AMEN1GAAATML3MBTL1
SCHEMBL16175602 0.90 ATM (0.43) KMT2AMEN1GAAATMMAPT
SCHEMBL16175733 0.89 LMNA (0.45) KMT2AMEN1GAAPOLBMAPT
SCHEMBL5012219 0.88 GPR119 (0.40) KMT2A
SCHEMBL16175735 0.88 KMT2A (0.43) KMT2APOLBL3MBTL1
SCHEMBL5012237 0.88 KMT2A (0.43) KMT2APOLBACHE
SCHEMBL5014461 0.86 ALDH1A1 (0.42) KMT2AMEN1POLBMAPTKDM4E
SCHEMBL5012860 0.86 HTT (0.41) KMT2AATMPOLBMAPTKDM4E

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