SCHEMBL7239143

SCHEMBL7239143

OC[CH]Nc1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
LMNA P02545 4/20 0.48
HTT P42858 3/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CISD1 Q9NZ45 1/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 3/20 0.44
GAA P10253 1/20 0.43
IDO1 P14902 1/20 0.43
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42

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
SCHEMBL13039531 0.74 ALDH1A1 (0.54) MAPTMEN1KMT2ALMNAHTT
SCHEMBL28166354 0.74 MAPT (0.48) MAPTMEN1KMT2ALMNAHTT
SCHEMBL3378202 0.74 MAPT (0.48) MAPTMEN1KMT2ALMNAHTT
SCHEMBL57437 0.74 ALDH1A1 (0.54) MAPTMEN1KMT2ALMNAHTT
SCHEMBL8263243 0.73 MAPT (0.48) MAPTMEN1KMT2ALMNAHTT
SCHEMBL30067741 0.71 KDR (0.52) MAPTMEN1KMT2ALMNAHTT
SCHEMBL27978435 0.71 MEN1 (0.50) MAPTMEN1KMT2ALMNAHTT
SCHEMBL2470288 0.71 KDR (0.52) MAPTMEN1KMT2ALMNAHTT
SCHEMBL1723977 0.70
SCHEMBL11404993 0.69 MEN1 (0.53) MAPTMEN1KMT2ALMNAHTT

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-6552192-B1 Inhibiting cyclin dependent kinase proteins, viruses, and immunostimulation; antimitotic, antiviral, anticancinogenic, antidegenerative, immunosuppressive USTAU EXPERIMENTALNI BOTANIKY AV-CR (CZ) 2003-04-22 US disclosed