SCHEMBL4301852

SCHEMBL4301852

CCOC(=O)c1ccc(-c2nc3ccc([N+](=O)[O-])cc3s2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
RAB9A P51151 5/20 0.54
GAA P10253 2/20 0.54
SMN1; SMN2 Q16637 4/20 0.52
HTT P42858 1/20 0.52
NPC1 O15118 4/20 0.51
KDM4E B2RXH2 3/20 0.51
HPGD P15428 2/20 0.51
APP P05067 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
RORC P51449 1/20 0.49
RARA P10276 2/20 0.49
RARB P10826 2/20 0.49
RARG P13631 2/20 0.49
PTPN11 Q06124 1/20 0.48
CCNE1 P24864 1/20 0.48

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
SCHEMBL13932580 0.84 DYRK1A (0.57) KMT2ARAB9AGAASMN1; SMN2HTT
SCHEMBL4298752 0.84 SMN1; SMN2 (0.60) KMT2AMEN1RAB9AGAASMN1; SMN2
SCHEMBL7604821 0.82 NPC1 (0.61) KMT2AMEN1RAB9AGAASMN1; SMN2
SCHEMBL2380048 0.82 SMN1; SMN2 (0.59) KMT2AMEN1RAB9ASMN1; SMN2HTT
SCHEMBL1996999 0.81 APP (0.73) KMT2AMEN1RAB9AGAASMN1; SMN2
SCHEMBL14872038 0.81 NPC1 (0.62) KMT2AMEN1RAB9AGAASMN1; SMN2
SCHEMBL146339 0.79 SMN1; SMN2 (0.69) KMT2AMEN1RAB9AGAASMN1; SMN2
SCHEMBL11973310 0.79 APP (0.63) KMT2AMEN1RAB9AGAASMN1; SMN2
SCHEMBL2633250 0.79 KDM4E (0.68) KMT2AMEN1RAB9AGAASMN1; SMN2
SCHEMBL4298781 0.79 RARA (0.64) KMT2AMEN1RAB9AGAASMN1; SMN2

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
US-7495106-B1 O-aminophenol-containing AB-monomer for heterocyclic rigid-rod polymers UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2009-02-24 US disclosed