SCHEMBL11601296

SCHEMBL11601296

O=C(CC(Cl)(Cl)Cl)Nc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
GAA P10253 2/20 0.59
HPGD P15428 2/20 0.59
RAB9A P51151 2/20 0.59
EPHX2 P34913 2/20 0.55
HTT P42858 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 1/20 0.50
TP53 P04637 1/20 0.50
EPHX1 P07099 1/20 0.50
TSHR P16473 1/20 0.50
CDK9 P50750 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
KDM1A O60341 1/20 0.50
NPC1 O15118 1/20 0.50
MITF O75030 1/20 0.50

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
SCHEMBL28049259 0.85 MAPT (0.65) MAPTGAAHPGDRAB9AEPHX2
SCHEMBL11603089 0.82 MAPT (0.61) MAPTGAAHPGDRAB9AEPHX2
SCHEMBL4110940 0.80 MAPT (0.86) MAPTGAAHPGDRAB9AEPHX2
SCHEMBL3953245 0.80 MAPT (0.59) MAPTGAAHPGDRAB9AEPHX2
SCHEMBL28133706 0.79 MAPT (0.77) MAPTGAAHPGDRAB9AHTT
SCHEMBL27395957 0.79 MAPT (0.50) MAPTGAAHPGDRAB9AEPHX2
SCHEMBL11031785 0.78 MAPT (0.57) MAPTGAAHPGDRAB9AEPHX2
SCHEMBL1689206 0.78 EPHX2 (0.68) MAPTGAAEPHX2HTTL3MBTL1
SCHEMBL20734732 0.77 MAPT (0.65) MAPTGAAHPGDRAB9AEPHX2
SCHEMBL20734734 0.77 MAPT (0.65) MAPTGAAHPGDRAB9AEPHX2

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-4111933-A PROTECTION OF FUNCTIONAL GROUPS DURING REACTION AND THEIR SUBSEQUENT RESTORATION BAYER AKTIENGESELLSCHAFT (DE) 1978-09-05 US disclosed