SCHEMBL14977680

SCHEMBL14977680

O=C(NC1CCCc2c1cnn2-c1ccc(F)cc1F)c1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.76
RAB9A P51151 4/20 0.73
NR2F2 P24468 1/20 0.73
KMT2A Q03164 3/20 0.73
GAA P10253 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
POLB P06746 1/20 0.68
NOD1 Q9Y239 3/20 0.67
GALR3 O60755 1/20 0.67
TNF P01375 1/20 0.67
MEN1 O00255 1/20 0.66
NPC1 O15118 1/20 0.64
KDM4E B2RXH2 1/20 0.63
RECQL P46063 1/20 0.63
NOD2 Q9HC29 1/20 0.62

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
SCHEMBL14985304 0.96 DHODH (0.81) DHODHRAB9ANR2F2KMT2AGAA
SCHEMBL14985273 0.88 RAB9A (0.74) DHODHRAB9ANR2F2KMT2AGAA
SCHEMBL20983027 0.84 KMT2A (1.00) DHODHRAB9ANR2F2KMT2AGAA
SCHEMBL14977355 0.84 KMT2A (1.00) DHODHRAB9ANR2F2KMT2AGAA
SCHEMBL14977356 0.84 KMT2A (1.00) DHODHRAB9ANR2F2KMT2AGAA
SCHEMBL14985289 0.84 RAB9A (0.71) DHODHRAB9ANR2F2KMT2AGAA
SCHEMBL14977605 0.84 RAB9A (0.68) DHODHRAB9ANR2F2KMT2AGAA
SCHEMBL14985277 0.82 POLB (0.71) DHODHRAB9ANR2F2KMT2AGAA
SCHEMBL14985364 0.82 KMT2A (0.73) DHODHRAB9ANR2F2KMT2AGAA
SCHEMBL14977813 0.80 KMT2A (0.70) DHODHRAB9ANR2F2KMT2AGAA

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