SCHEMBL4682902

SCHEMBL4682902

N#CNC(=N)NCc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSP90AA1 P07900 1/20 0.45
NSD2 O96028 1/20 0.42
IDE P14735 1/20 0.42
PLAAT3 P53816 1/20 0.41
PLAAT5 Q96KN8 1/20 0.41
PLAAT2 Q9NWW9 1/20 0.41
PLAAT4 Q9UL19 1/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 4/20 0.41
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 2/20 0.40
GAA P10253 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
SCHEMBL15300018 0.83 CYP1A2 (0.50) MEN1KMT2ACYP2C19PLAAT3PLAAT5
SCHEMBL11391340 0.83 PLA2G1B (0.50) KMT2ACYP2C19TP53ALDH1A1HPGD
SCHEMBL8894996 0.82 MCL1 (0.50) MEN1KMT2ACYP2C19ALDH1A1HPGD
SCHEMBL918751 0.82 TSHR (0.50) MEN1KMT2ATP53ALDH1A1HPGD
SCHEMBL15299977 0.81 L3MBTL1 (0.47) MEN1KMT2ACYP2C19PLAAT3PLAAT5
SCHEMBL4681589 0.81 KMT2A (0.46) MEN1KMT2AALDH1A1ALOX12NPC1
SCHEMBL9689354 0.81 MCL1 (0.34) MEN1KMT2AALDH1A1HPGDGAA
SCHEMBL8895096 0.80 MEN1 (0.59) MEN1KMT2ACYP2C9CYP2C19ALDH1A1
SCHEMBL10752417 0.79 ALDH1A1 (0.45) CYP2C9CYP2C19ALDH1A1SMN1; SMN2RAB9A
SCHEMBL4466772 0.79 ALDH1A1 (0.54) MEN1KMT2AALDH1A1HPGDSMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392655-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2008-07-16 EP disclosed
EP-1198456-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2007-09-19 EP disclosed
EP-1392655-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2004-03-03 EP disclosed
WO-2002062762-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO disclosed
EP-1198456-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-24 EP disclosed
WO-2001009096-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2001-02-08 WO disclosed
EP-0507317-B1 Biguanide derivatives, manufacturing method thereof, and disinfectants containing the derivatives OTSUKA PHARMA CO LTD (JP) 1997-01-15 EP disclosed