SCHEMBL16638716

SCHEMBL16638716

COc1cc(Cl)cc(Nc2ncccc2C(C)=O)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.58
KMT2A Q03164 12/20 0.58
HTT P42858 2/20 0.58
MAPK1 P28482 2/20 0.58
PKM P14618 1/20 0.58
MAPT P10636 7/20 0.57
GAA P10253 2/20 0.56
RAB9A P51151 5/20 0.55
ALDH1A1 P00352 4/20 0.55
NPC1 O15118 3/20 0.55
NPSR1 Q6W5P4 2/20 0.55
DHODH Q02127 5/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TOP1 P11387 1/20 0.48
LMNA P02545 1/20 0.43
GRM4 Q14833 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL17363143 0.90 MEN1 (0.58) MEN1KMT2AHTTMAPK1PKM
SCHEMBL15636276 0.90 MEN1 (0.72) MEN1KMT2AHTTMAPK1PKM
SCHEMBL16627430 0.84 MEN1 (0.81) MEN1KMT2AHTTMAPK1PKM
SCHEMBL16616459 0.82 MEN1 (0.80) MEN1KMT2AHTTMAPK1PKM
SCHEMBL15635389 0.81 MEN1 (0.50) MEN1KMT2AHTTMAPK1PKM
SCHEMBL16638715 0.79 MEN1 (0.44) MEN1KMT2AHTTMAPK1PKM
SCHEMBL16616388 0.79 RAB9A (0.76) MEN1KMT2AHTTMAPK1MAPT
SCHEMBL16616492 0.79 SMN1; SMN2 (0.55) MEN1KMT2AHTTMAPK1PKM
SCHEMBL16638714 0.78 GRM4 (0.59) MEN1KMT2AHTTMAPK1PKM
SCHEMBL15639701 0.78 MEN1 (0.55) MEN1KMT2AHTTMAPK1PKM

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-9006451-B1 2-anilinonicotinyl based chalcones useful as potential anticancer agents and process for preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-04-14 US disclosed