SCHEMBL5128486

SCHEMBL5128486

NCCc1ccc(C(=O)Nc2ccncc2)cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ROCK2 O75116 3/20 0.53
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
MAPT P10636 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
POLB P06746 1/20 0.51
CASP3 P42574 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
LMNA P02545 1/20 0.49
ALDH1A1 P00352 1/20 0.49
PKM P14618 1/20 0.49
NT5E P21589 2/20 0.49
TP53 P04637 1/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
JAK2 O60674 2/20 0.48
TYK2 P29597 2/20 0.48

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
SCHEMBL5126387 0.89 KDM4E (0.55) KDM4EL3MBTL1ROCK2KMT2AMEN1
SCHEMBL3412784 0.86 MAPT (0.58) KDM4EL3MBTL1ROCK2KMT2AMEN1
SCHEMBL5132595 0.85 KMT2A (0.66) KDM4EL3MBTL1ROCK2KMT2AMEN1
SCHEMBL3416255 0.82 POLB (0.62) KDM4EL3MBTL1ROCK2KMT2AMEN1
SCHEMBL6683364 0.80 GAA (0.65) KDM4EL3MBTL1ROCK2KMT2AMEN1
SCHEMBL6560254 0.79 KDM4E (0.56) KDM4EL3MBTL1ROCK2KMT2AMEN1
SCHEMBL1553020 0.79 KDM4E (0.69) KDM4EL3MBTL1ROCK2KMT2AMEN1
SCHEMBL1554115 0.78 ROCK2 (0.61) KDM4EL3MBTL1ROCK2KMT2AMEN1
Hydrochloric Acid SCHEMBL1396788 0.77 KDM4E (0.67) KDM4EL3MBTL1ROCK2KMT2AMEN1
Hydrochloric Acid SCHEMBL6558172 0.77 ROCK2 (0.60) KDM4EL3MBTL1ROCK2KMT2AMEN1

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-3043822-A1 COMPOSITIONS FOR PREPARING CARDIOMYOCYTES The J. David Gladstone Institutes, A Testamentary Trust Established under The Will of J. David Gladstone (US) 2016-07-20 EP claimed
WO-2015038704-A1 COMPOSITIONS FOR PREPARING CARDIOMYOCYTES THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2015-03-19 WO claimed
EP-3043822-A1 COMPOSITIONS FOR PREPARING CARDIOMYOCYTES The J. David Gladstone Institutes, A Testamentary Trust Established under The Will of J. David Gladstone (US) 2016-07-20 EP disclosed
EP-3039126-A2 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE NEURONAL CELLS The J. David Gladstone Institutes, A Testamentary Trust Established under The Will of J. David Gladstone (US) 2016-07-06 EP disclosed
WO-2015041809-A2 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE NEURONAL CELLS THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2015-03-26 WO disclosed
WO-2015038704-A1 COMPOSITIONS FOR PREPARING CARDIOMYOCYTES THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2015-03-19 WO disclosed
WO-2008049000-A2 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION UNITED THERAPEUTICS CORPORATION (US) 2008-04-24 WO disclosed