SCHEMBL9699192

SCHEMBL9699192

O=C(CCCCBr)N1CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.68
KMT2A Q03164 4/20 0.66
MEN1 O00255 3/20 0.66
L3MBTL1 Q9Y468 2/20 0.66
TDP1 Q9NUW8 2/20 0.66
HPGD P15428 4/20 0.56
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 1/20 0.56
USP2 O75604 1/20 0.56
LMNA P02545 1/20 0.56
CYP3A4 P08684 1/20 0.56
HSD17B10 Q99714 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.50
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ACHE P22303 1/20 0.45

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
SCHEMBL10590368 0.98 ATM (0.65) ATMKMT2AMEN1L3MBTL1TDP1
SCHEMBL4865397 0.98 ATM (0.71) ATMKMT2AMEN1L3MBTL1TDP1
SCHEMBL11408812 0.96 ATM (0.68) ATMKMT2AMEN1L3MBTL1TDP1
SCHEMBL10590320 0.96 ATM (0.68) ATMKMT2AMEN1L3MBTL1TDP1
SCHEMBL20985659 0.96 ATM (0.74) ATMKMT2AMEN1L3MBTL1TDP1
SCHEMBL20985652 0.94 ATM (0.77) ATMKMT2AMEN1L3MBTL1TDP1
SCHEMBL6927269 0.89 MEN1 (0.70) ATMKMT2AMEN1L3MBTL1TDP1
SCHEMBL28366947 0.89 ATM (0.85) ATMKMT2AMEN1L3MBTL1TDP1
SCHEMBL10722542 0.89 ATM (0.85) ATMKMT2AMEN1L3MBTL1TDP1
SCHEMBL27487132 0.89 ATM (0.85) ATMKMT2AMEN1L3MBTL1TDP1

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
WO-1992017470-A1 IMIDAZOLES RHONE-POULENC RORER LIMITED (GB) 1992-10-15 WO disclosed
EP-0506437-A1 Imidazoles RHONE POULENC RORER LIMITED (GB) 1992-09-30 EP disclosed