SCHEMBL14985304

SCHEMBL14985304

O=C(NC1CCCc2c1cnn2-c1ccc(F)cc1F)c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.81
KMT2A Q03164 3/20 0.78
GAA P10253 1/20 0.78
SMN1; SMN2 Q16637 1/20 0.78
RAB9A P51151 4/20 0.75
NR2F2 P24468 1/20 0.75
POLB P06746 1/20 0.73
NOD1 Q9Y239 3/20 0.71
GALR3 O60755 1/20 0.71
TNF P01375 1/20 0.71
MEN1 O00255 1/20 0.70
NPC1 O15118 1/20 0.68
KDM4E B2RXH2 1/20 0.67
RECQL P46063 1/20 0.67
NOD2 Q9HC29 1/20 0.64

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
SCHEMBL14977680 0.96 DHODH (0.76) DHODHKMT2AGAASMN1; SMN2RAB9A
SCHEMBL14985273 0.91 RAB9A (0.74) DHODHKMT2AGAASMN1; SMN2RAB9A
SCHEMBL20983027 0.88 KMT2A (1.00) DHODHKMT2AGAASMN1; SMN2RAB9A
SCHEMBL14977355 0.88 KMT2A (1.00) DHODHKMT2AGAASMN1; SMN2RAB9A
SCHEMBL14977356 0.88 KMT2A (1.00) DHODHKMT2AGAASMN1; SMN2RAB9A
SCHEMBL14985289 0.87 RAB9A (0.71) DHODHKMT2AGAASMN1; SMN2RAB9A
SCHEMBL14985277 0.85 POLB (0.71) DHODHKMT2AGAASMN1; SMN2RAB9A
SCHEMBL14977605 0.85 RAB9A (0.68) DHODHKMT2AGAASMN1; SMN2RAB9A
SCHEMBL14985364 0.85 KMT2A (0.73) DHODHKMT2AGAASMN1; SMN2RAB9A
SCHEMBL14977813 0.83 KMT2A (0.70) DHODHKMT2AGAASMN1; SMN2RAB9A

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