SCHEMBL9630780

SCHEMBL9630780

Cc1cc(C)c2c(c1)NCCCCS2

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL10589935 0.73 MEN1 (0.36) ALDH1A1GAA
SCHEMBL9628734 0.72 KMT2A (0.43) SMN1; SMN2ALDH1A1MAPTHSD17B10
SCHEMBL9629579 0.72 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL5405723 0.71 UHRF1 (0.42) ALDH1A1GAAMAPTHSD17B10
SCHEMBL5638815 0.70 MEN1 (0.38) SMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL5993417 0.68 UHRF1 (0.47) ALDH1A1GAAMAPTHSD17B10
SCHEMBL10704285 0.67 MEN1 (0.37) ALDH1A1GAA
SCHEMBL5636666 0.67 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1GAAMAPTHSD17B10
SCHEMBL21574423 0.63 ALDH1A1 (0.42) ALDH1A1GAAMAPTHSD17B10
SCHEMBL10702193 0.62 PRKD1 (0.43) SMN1; SMN2ALDH1A1GAA

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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