SCHEMBL14977635

SCHEMBL14977635

COc1ccc(-n2ncc3c2CCCC3NC(=O)c2ccc(F)cn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
MEN1 O00255 2/20 0.59
DHODH Q02127 10/20 0.58
GAA P10253 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TTR P02766 1/20 0.56
ATM Q13315 1/20 0.53

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
SCHEMBL14985372 0.90 KMT2A (0.57) KMT2AMEN1DHODH
SCHEMBL14977504 0.90 DHODH (0.68) KMT2AMEN1DHODH
SCHEMBL14977149 0.89 DHODH (0.68) KMT2AMEN1DHODH
SCHEMBL14977713 0.88 RAB9A (0.64) KMT2AMEN1DHODHTTRATM
SCHEMBL14977788 0.87 DHODH (0.69) KMT2AMEN1DHODHGAASMN1; SMN2
SCHEMBL14977822 0.86 KMT2A (0.56) KMT2AMEN1DHODHGAASMN1; SMN2
SCHEMBL14977664 0.85 DHODH (0.54) KMT2AMEN1DHODHTTR
SCHEMBL14977820 0.84 DHODH (0.66) KMT2AMEN1DHODH
SCHEMBL14985332 0.84 KMT2A (0.58) KMT2AMEN1DHODH
SCHEMBL14977362 0.84 KMT2A (0.56) KMT2AMEN1DHODH

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-2013078413-A1 MODULATORS OF LIPID STORAGE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2013-05-30 WO disclosed
WO-2013078413-A1 MODULATORS OF LIPID STORAGE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2013-05-30 WO disclosed