SCHEMBL9629681

SCHEMBL9629681

O=C1CCCSc2ccc(Cl)cc2N1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.49
▸ MAPT P10636 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ GAA P10253 2/20 0.49
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ VHL P40337 1/20 0.47
▸ ELOC Q15369 1/20 0.47
▸ ELOB Q15370 1/20 0.47
▸ AHR P35869 2/20 0.46
▸ CMA1 P23946 1/20 0.46
▸ TP53 P04637 1/20 0.41
▸ BCHE P06276 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ NOX1 Q9Y5S8 1/20 0.41
▸ MAPK13 O15264 1/20 0.41
▸ DAPK3 O43293 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ CHEK2 O96017 1/20 0.41

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
SCHEMBL8853550 0.90 HDAC1 (0.57) KMT2AMAPTMEN1GAAHDAC1
SCHEMBL9629595 0.81 HDAC1 (0.48) KMT2AMAPTMEN1HDAC1HDAC8
SCHEMBL9629602 0.81 KMT2A (0.53) KMT2AMEN1GAAHDAC1HDAC8
SCHEMBL7454625 0.80 HTT (0.59) KMT2AMAPTMEN1GAAAHR
SCHEMBL9628766 0.78 MAOA (0.55) KMT2AHDAC1HDAC8HDAC6TP53
SCHEMBL9629024 0.78 KIF11 (0.47) MAPTHDAC1HDAC8HDAC6NOX1
SCHEMBL9628996 0.77 MAPT (0.53) KMT2AMAPTMEN1GAAHDAC1
SCHEMBL9628745 0.76 KMT2A (0.46) KMT2AMAPTMEN1HDAC1HDAC8
SCHEMBL9405611 0.73 AHR (0.66) KMT2AMAPTMEN1GAAAHR
SCHEMBL5507140 0.71 HDAC1 (0.57) KMT2AMAPTHDAC1HDAC8HDAC6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0340581-B1 PROCESS FOR THE CHLORINATION IN THE NUCLEUS OF AROMATIC HYDROCARBONS BAYER AG (DE) 1992-03-18 — — EP disclosed
US-4925994-A Process for the ring chlorination of aromatic hydrocarbons BAYER AKTIENGESELLSCHAFT (DE) 1990-05-15 — — US disclosed
EP-0340581-A2 Process for the chlorination in the nucleus of aromatic hydrocarbons BAYER AG (DE) 1989-11-08 — — EP disclosed
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