SCHEMBL5645479

SCHEMBL5645479

CC(c1ccccc1)N(C)C(=O)c1ccccc1I

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 1/20 0.50
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ LIMK2 P53671 2/20 0.46
▸ EGLN1 Q9GZT9 1/20 0.44
▸ ALOX5 P09917 1/20 0.44
▸ GAA P10253 1/20 0.41
▸ TRPM8 Q7Z2W7 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ PLAT P00750 1/20 0.39
▸ SRC P12931 1/20 0.37
▸ PDK1 Q15118 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL5644991 0.81 HPGD (0.53) MTORMEN1KMT2ALIMK2EGLN1
SCHEMBL5646718 0.78 LIMK2 (0.62) MTORLIMK2ALOX5GAATRPM8
SCHEMBL11756196 0.75 P2RX4 (0.49) MEN1KMT2AGAATDP1SMN1; SMN2
SCHEMBL1520362 0.75 MTOR (0.62) MTORMEN1KMT2ALIMK2ALOX5
SCHEMBL6361997 0.75 MEN1 (0.55) MEN1KMT2AGAATDP1SMN1; SMN2
Benzene SCHEMBL28986126 0.75 MTOR (0.62) MTORMEN1KMT2ALIMK2ALOX5
SCHEMBL13740702 0.74 PDK1 (0.64) MTORMEN1KMT2ALIMK2GAA
SCHEMBL4145996 0.74 PDK1 (0.64) MTORMEN1KMT2ALIMK2GAA
SCHEMBL13740930 0.74 PDK1 (0.64) MTORMEN1KMT2ALIMK2GAA
SCHEMBL6512237 0.73 MTOR (0.61) MTORLIMK2ALOX5GAATRPM8

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-7241759-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 — — US disclosed
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