SCHEMBL16774794

SCHEMBL16774794

O=C(O)c1cnc(Cl)c(Cl)c1Nc1ccc(Br)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.45
▸ MEN1 O00255 6/20 0.44
▸ KMT2A Q03164 6/20 0.44
▸ LMNA P02545 4/20 0.44
▸ MAPT P10636 4/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.40
▸ GAA P10253 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HPGD P15428 4/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ ALOX12 P18054 2/20 0.40
▸ ERBB2 P04626 1/20 0.39
▸ F13A1 P00488 1/20 0.39
▸ TGM2 P21980 1/20 0.39
▸ MAP2K1 Q02750 1/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38

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
SCHEMBL17134793 0.79 EGFR (0.60) EGFRMEN1KMT2ALMNAMAPT
SCHEMBL17135155 0.78 EGFR (0.51) EGFRMEN1KMT2ALMNAMAPT
SCHEMBL1342083 0.77 MAP2K1 (0.53) MEN1KMT2ASMN1; SMN2HTTNPC1
SCHEMBL17134561 0.77 EGFR (0.49) EGFRMEN1KMT2ALMNAMAPT
SCHEMBL17134960 0.75 GAA (0.55) EGFRMEN1KMT2ALMNAMAPT
SCHEMBL17134923 0.75 EGFR (0.59) EGFRMEN1KMT2ALMNAMAPT
SCHEMBL16774938 0.70 MEN1 (0.38) EGFRMEN1KMT2ALMNAMAPT
SCHEMBL16803290 0.70 MAP2K1 (0.48) EGFRMEN1KMT2ALMNAMAPT
SCHEMBL17134938 0.69 MAP2K1 (0.47) EGFRMAP2K1CSF1R
SCHEMBL17134619 0.69 MAP2K1 (0.53) MAPTALDH1A1GAAMAP2K1CSF1R

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
EP-2121620-B1 INHIBITORS OF MEK ARDEA BIOSCIENCES INC (US) 2015-06-17 — — EP disclosed
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