SCHEMBL11668287

SCHEMBL11668287

N=C(N)N(CCCCCCN(C(=N)N)C(=O)Nc1ccc(Br)cc1)C(=O)Nc1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44
▸ F13A1 P00488 2/20 0.39
▸ TGM2 P21980 2/20 0.39
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ TGM1 P22735 1/20 0.38
▸ TGM3 Q08188 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38

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
SCHEMBL11668286 0.85 TSHR (0.49) HPGDLMNA
SCHEMBL11668321 0.85 TSHR (0.49) HPGDLMNA
SCHEMBL11501626 0.85 TSHR (0.49) HPGDLMNA
SCHEMBL11668317 0.85 ALDH1A1 (0.49) MEN1KMT2ATGM2
SCHEMBL11668516 0.85 ALDH1A1 (0.45) MEN1KMT2A
SCHEMBL11501927 0.75 TSHR (0.51) MEN1KMT2AHPGDLMNA
SCHEMBL11668443 0.75 MEN1 (0.49) MEN1KMT2AF13A1TGM2LMNA
SCHEMBL11501940 0.72 CACNA1G (0.50) —
SCHEMBL11668333 0.71 MEN1 (0.48) MEN1KMT2AHPGDLMNACA12
SCHEMBL11501785 0.71 TSHR (0.54) MEN1KMT2AHPGDLMNA

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-4022962-A DENTAL PLAQUE INHIBITORS COOPER LABORATORIES, INC. (US) 1977-05-10 — — US claimed
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