SCHEMBL2587526

SCHEMBL2587526

CC(Nc1nc(-c2ccccc2F)nc2ccccc12)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 1.00
MEN1 O00255 5/20 1.00
GBA1 P04062 2/20 1.00
MAPT P10636 6/20 0.73
HTT P42858 1/20 0.69
CCNE2 O96020 4/20 0.59
CCNE1 P24864 4/20 0.59
CDK2 P24941 4/20 0.59
CDK4 P11802 2/20 0.59
CCND1 P24385 2/20 0.59
CLK1 P49759 1/20 0.58
POLB P06746 2/20 0.57
MAPK1 P28482 1/20 0.57
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GALR3 O60755 1/20 0.53
NR2F2 P24468 1/20 0.53
LATS1 O95835 1/20 0.53
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52

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
SCHEMBL1083895 0.88 MEN1 (0.78) KMT2AMEN1GBA1MAPTHTT
SCHEMBL5103688 0.82 KMT2A (1.00) KMT2AMEN1GBA1MAPTHTT
SCHEMBL1083916 0.80 CYP1A2 (0.70) KMT2AMEN1GBA1MAPTHTT
SCHEMBL2588898 0.77 MEN1 (0.84) KMT2AMEN1GBA1MAPTHTT
SCHEMBL1084178 0.77 MAPT (0.73) KMT2AMEN1GBA1MAPTHTT
SCHEMBL16183673 0.75 MEN1 (0.67) KMT2AMEN1GBA1MAPTHTT
SCHEMBL25243367 0.75 MAPT (0.67) KMT2AMEN1GBA1MAPTHTT
SCHEMBL7278023 0.74 MEN1 (0.87) KMT2AMEN1GBA1MAPTHTT
SCHEMBL1084783 0.73 MAPT (0.78) KMT2AMEN1GBA1MAPTHTT
SCHEMBL1083874 0.73 MAPK1 (1.00) KMT2AMEN1GBA1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103068393-A Methods and compositions for inhibition of the transitional endoplasmic reticulum atpase CLEAVE BIOSCIENCES INC CLEAVE 2013-04-24 CN disclosed
EP-2566480-A2 METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE California Institute of Technology (US) 2013-03-13 EP disclosed
WO-2011140527-A2 METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE CALIFORNIA INSTITUTE OF TECHNOLOGY AND THE UNIVERSITY OF KANSAS (US) 2011-11-10 WO disclosed