SCHEMBL14977309

SCHEMBL14977309

NC1CCCc2c1cnn2-c1ccc(F)cc1F

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
GAA P10253 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
RAB9A P51151 4/20 0.54
NOD1 Q9Y239 2/20 0.54
GALR3 O60755 1/20 0.54
TNF P01375 1/20 0.54
POLB P06746 2/20 0.53
NR2F2 P24468 1/20 0.53
DHODH Q02127 4/20 0.52
NPC1 O15118 1/20 0.52
KDM4E B2RXH2 1/20 0.51
RECQL P46063 1/20 0.51
MEN1 O00255 1/20 0.49

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
SCHEMBL18850984 0.84 DHODH (0.58) RAB9ANOD1TNFNR2F2DHODH
SCHEMBL18825149 0.84 DHODH (0.58) RAB9ANOD1TNFNR2F2DHODH
Hydrochloric Acid SCHEMBL18825227 0.83 DHODH (0.57) RAB9ANOD1TNFNR2F2DHODH
Hydrochloric Acid SCHEMBL18825124 0.83 DHODH (0.57) RAB9ANOD1TNFNR2F2DHODH
SCHEMBL18825221 0.80 DHODH (0.57) RAB9ANOD1TNFNR2F2DHODH
SCHEMBL18825222 0.80 DHODH (0.57) RAB9ANOD1TNFNR2F2DHODH
SCHEMBL14985364 0.76 KMT2A (0.73) KMT2AGAASMN1; SMN2RAB9ANOD1
SCHEMBL14977813 0.75 KMT2A (0.70) KMT2AGAASMN1; SMN2RAB9ANOD1
SCHEMBL18825229 0.74 KMT2A (0.59) KMT2AGAASMN1; SMN2RAB9ANOD1
SCHEMBL14985304 0.74 DHODH (0.81) KMT2AGAASMN1; SMN2RAB9ANOD1

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