SCHEMBL18934403

SCHEMBL18934403

CC(C)Nc1ccnc(O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.40
RECQL P46063 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
NTSR1 P30989 1/20 0.38
RAD52 P43351 1/20 0.38
BLM P54132 1/20 0.38
PAX8 Q06710 1/20 0.38
IDO1 P14902 1/20 0.37
ABL1 P00519 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL17108502 0.78 UHRF1 (0.46) TDP1RECQLL3MBTL1MAPTKMT2A
SCHEMBL10274930 0.77
SCHEMBL27989136 0.76 TDP1 (0.40) TDP1RECQLL3MBTL1MAPTKMT2A
SCHEMBL21724896 0.76 AR (0.41) TDP1RECQLL3MBTL1MAPTKMT2A
SCHEMBL12368480 0.76 SMARCA2 (0.47) TDP1RECQLL3MBTL1MAPTKMT2A
SCHEMBL30257685 0.76 NOS3 (0.47) TDP1RECQLL3MBTL1MAPTKMT2A
SCHEMBL25830623 0.76 TDP1 (0.40) TDP1RECQLL3MBTL1MAPTKMT2A
SCHEMBL12356608 0.76 TDP1 (0.40) TDP1RECQLL3MBTL1MAPTKMT2A
SCHEMBL1097306 0.76 NOS3 (0.47) TDP1RECQLL3MBTL1MAPTKMT2A
SCHEMBL24919842 0.76 JAK2 (0.41) TDP1RECQLL3MBTL1MAPTKMT2A

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-2017093214-A1 MESOIONIC HALOGENATED 3-(ACETYL)-1-[(1,3-THIAZOL-5-YL)METHYL]-1H-IMIDAZO[1,2-A]PYRIDIN-4-IUM-2-OLATE DERIVATIVES AND RELATED COMPOUNDS AS INSECTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-06-08 WO disclosed