SCHEMBL5644991

SCHEMBL5644991

CC(c1ccccc1)N(C)C(=O)c1ccccc1Br

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.50
▸ MTOR P42345 1/20 0.50
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ LIMK2 P53671 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ EGLN1 Q9GZT9 1/20 0.44
▸ ALOX5 P09917 1/20 0.44
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ TRPM8 Q7Z2W7 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ PLAT P00750 1/20 0.39

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
SCHEMBL5645479 0.81 MTOR (0.50) HPGDALDH1A1MTORMEN1KMT2A
SCHEMBL5646718 0.78 LIMK2 (0.62) ALDH1A1MTORLIMK2ALOX5GAA
SCHEMBL11600504 0.75 HPGD (0.61) HPGDALDH1A1MEN1KMT2AGAA
SCHEMBL1520362 0.75 MTOR (0.62) ALDH1A1MTORMEN1KMT2ALIMK2
Benzene SCHEMBL28986126 0.75 MTOR (0.62) ALDH1A1MTORMEN1KMT2ALIMK2
SCHEMBL4077020 0.74 HPGD (0.51) HPGDALDH1A1MEN1KMT2ATDP1
SCHEMBL31479876 0.74 HPGD (0.51) HPGDALDH1A1MEN1KMT2ATDP1
SCHEMBL13740702 0.74 PDK1 (0.64) ALDH1A1MTORMEN1KMT2ALIMK2
SCHEMBL21961941 0.74 MTOR (0.47) ALDH1A1MTORMEN1KMT2ALIMK2
SCHEMBL21961943 0.74 MTOR (0.47) ALDH1A1MTORMEN1KMT2ALIMK2

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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