SCHEMBL14985289

SCHEMBL14985289

O=C(NC1CCCc2c1cnn2-c1ccc(F)cc1F)c1ccsc1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.71
POLB P06746 2/20 0.71
NR2F2 P24468 1/20 0.71
KMT2A Q03164 3/20 0.70
GAA P10253 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
DHODH Q02127 6/20 0.67
NOD1 Q9Y239 2/20 0.67
GALR3 O60755 1/20 0.67
TNF P01375 1/20 0.67
NPC1 O15118 1/20 0.66
MEN1 O00255 1/20 0.61
KDM4E B2RXH2 1/20 0.58
RECQL P46063 1/20 0.58

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 0.87 DHODH (0.81) RAB9APOLBNR2F2KMT2AGAA
SCHEMBL14985273 0.86 RAB9A (0.74) RAB9APOLBNR2F2KMT2AGAA
SCHEMBL14985277 0.84 POLB (0.71) RAB9APOLBNR2F2KMT2AGAA
SCHEMBL14977680 0.84 DHODH (0.76) RAB9APOLBNR2F2KMT2AGAA
SCHEMBL14977355 0.83 KMT2A (1.00) RAB9APOLBNR2F2KMT2AGAA
SCHEMBL20983027 0.83 KMT2A (1.00) RAB9APOLBNR2F2KMT2AGAA
SCHEMBL14977356 0.83 KMT2A (1.00) RAB9APOLBNR2F2KMT2AGAA
SCHEMBL14977574 0.82 KMT2A (0.82) RAB9APOLBNR2F2KMT2AGAA
SCHEMBL14985364 0.82 KMT2A (0.73) RAB9APOLBNR2F2KMT2AGAA
SCHEMBL14977813 0.80 KMT2A (0.70) RAB9APOLBNR2F2KMT2AGAA

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 1 patent. 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