SCHEMBL5168259

SCHEMBL5168259

CC(=O)C1(c2ccccc2)N=NN=N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
KIF11 P52732 3/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.36
BCHE P06276 1/20 0.36
APEX1 P27695 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
BLM P54132 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
AKR1C1 Q04828 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ADRB2 P07550 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
Tetrylammonium SCHEMBL31402461 0.71 LMNA (0.35) OPRM1KIF11POLBLMNARAB9A
SCHEMBL8766967 0.68 LMNA (0.43) POLBLMNARECQLRAB9ABLM
SCHEMBL240200 0.67 AKR1C1 (0.48) OPRM1OPRL1LMNAALDH1A1AKR1C1
SCHEMBL434296 0.66 KMT2A (0.33) OPRM1OPRL1RAB9ABLMALDH1A1
SCHEMBL890180 0.65 AKR1C1 (0.57) OPRM1OPRL1LMNAALDH1A1AKR1C1
SCHEMBL31291528 0.65 AKR1C1 (0.42) LMNATDP1ALDH1A1CES2CES1
SCHEMBL28956318 0.64 AKR1C1 (0.41) LMNABLMTDP1ALDH1A1CES2
SCHEMBL15215650 0.62 AKR1C1 (0.48) OPRM1OPRL1ALDH1A1AKR1C1MEN1
SCHEMBL1694005 0.62 ALDH1A1 (0.46) POLBLMNARECQLRAB9ABLM
SCHEMBL30934615 0.62 OPRM1 (0.42) OPRM1OPRL1LMNARAB9AALDH1A1

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-1773125-A1 5-IODOTETRAZOLES Lanxess Deutschland GmbH (DE) 2007-04-18 EP disclosed
WO-2006012996-A1 5-IODOTETRAZOLES LANXESS DEUTSCHLAND GMBH (DE) 2006-02-09 WO disclosed