SCHEMBL9686196

SCHEMBL9686196

Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
CYP1A2 P05177 2/20 0.61
KDM4E B2RXH2 1/20 0.61
RECQL P46063 1/20 0.55
KCNMA1 Q12791 1/20 0.48
KMT2A Q03164 3/20 0.47
LMNA P02545 1/20 0.47
FADS1 O60427 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ATM Q13315 1/20 0.45
MEN1 O00255 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP1A1 P04798 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAOB P27338 1/20 0.44
CYP1B1 Q16678 1/20 0.44
NOS2 P35228 1/20 0.43

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
SCHEMBL3481659 0.85 MAPT (0.59) MAPTSMN1; SMN2L3MBTL1CYP1A2KDM4E
SCHEMBL9653610 0.82 MAPT (0.56) MAPTSMN1; SMN2L3MBTL1CYP1A2KDM4E
SCHEMBL9563510 0.81 MAPT (0.56) MAPTSMN1; SMN2L3MBTL1CYP1A2KDM4E
SCHEMBL9563508 0.81 KEAP1 (0.54) MAPTSMN1; SMN2L3MBTL1CYP1A2KDM4E
SCHEMBL9540049 0.80 RECQL (0.79) SMN1; SMN2KDM4ERECQLKMT2AFADS1
SCHEMBL12683906 0.80 SMN1; SMN2 (0.60) MAPTSMN1; SMN2L3MBTL1CYP1A2KDM4E
SCHEMBL18080777 0.80 SMN1; SMN2 (0.60) MAPTSMN1; SMN2L3MBTL1CYP1A2KDM4E
SCHEMBL6351799 0.78 RECQL (0.64) MAPTSMN1; SMN2RECQLKMT2AFADS1
SCHEMBL9684971 0.77 IDO1 (0.57) MAPTSMN1; SMN2L3MBTL1CYP1A2KDM4E
SCHEMBL9851289 0.77 MAPT (1.00) MAPTSMN1; SMN2L3MBTL1CYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9446048-B2 Methods for treating leukemia and disorders mediated by CBFβ and RUNX1 proteins THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-09-20 US disclosed
US-9446048-B2 Methods for treating leukemia and disorders mediated by CBFβ and RUNX1 proteins THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-09-20 US disclosed
EP-2685985-B1 METHODS FOR TREATING LEUKEMIA AND DISORDERS MEDIATED BY CBF AND RUNX1 PROTEINS US HEALTH (US) 2016-08-31 EP disclosed
WO-2012125787-A1 METHODS FOR TREATING LEUKEMIA AND DISORDERS MEDIATED BY CBFβ AND RUNX1 PROTEINS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVIC (US) 2012-09-20 WO disclosed
CN-1062528-A BENZODIAZEPINONE HOFFMANN LA ROCHE (CH) 1992-07-08 CN disclosed
EP-0491218-A1 Benzodiazepinones F. HOFFMANN-LA ROCHE AG (CH) 1992-06-24 EP disclosed