SCHEMBL9630852

SCHEMBL9630852

[O-][S+]1CCCCNc2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL7347184 0.94 MEN1 (0.32) MEN1ALDH1A1GAAKMT2A
SCHEMBL13477741 0.94 MEN1 (0.32) MEN1ALDH1A1GAAKMT2A
SCHEMBL88860 0.86 MEN1 (0.34) MEN1ALDH1A1GAAKMT2A
SCHEMBL83412 0.74 ALOX15 (0.30)
Hydrochloric Acid SCHEMBL9449441 0.72 MEN1 (0.31) MEN1ALDH1A1GAAKMT2A
SCHEMBL4622490 0.72
SCHEMBL4495411 0.72 GAA (0.44) MEN1ALDH1A1GAAKMT2A
SCHEMBL11273369 0.71 ALOX15 (0.35) MEN1ALDH1A1GAAKMT2A
SCHEMBL9628930 0.70 MAPT (0.50) MEN1ALDH1A1KMT2A
SCHEMBL18320613 0.70 MEN1 (0.43) MEN1ALDH1A1GAAKMT2A

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