SCHEMBL7282083

SCHEMBL7282083

CCc1ccc(NC(=O)CN2CCNCC2)cc1Br

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ ALDH1A1 P00352 5/20 0.56
▸ KDM4E B2RXH2 3/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ LMNA P02545 2/20 0.53
▸ TSHR P16473 1/20 0.53
▸ HTT P42858 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ KHK P50053 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ JAK3 P52333 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ CHEK1 O14757 1/20 0.46
▸ AURKA O14965 1/20 0.46
▸ DAPK3 O43293 1/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ PRKD3 O94806 1/20 0.46
▸ PAK4 O96013 1/20 0.46

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
SCHEMBL7429550 0.85 KMT2A (0.58) KMT2AMEN1ALDH1A1KDM4ETDP1
SCHEMBL7278718 0.78 ALDH1A1 (0.62) KMT2AMEN1ALDH1A1KDM4ETSHR
SCHEMBL7282287 0.77 NPC1 (0.58) KMT2AMEN1ALDH1A1KDM4ETDP1
SCHEMBL12964242 0.77 ALDH1A1 (0.62) KMT2AMEN1ALDH1A1KDM4ETDP1
SCHEMBL4291737 0.75 TERT (0.59) ALDH1A1MAPT
SCHEMBL9031169 0.75 ALDH1A1 (0.64) KMT2AMEN1ALDH1A1KDM4ETDP1
SCHEMBL5231092 0.74 HPGD (0.57) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL27935848 0.74 MEN1 (0.61) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL7278994 0.74 SMN1; SMN2 (0.73) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL5751507 0.74 ALDH1A1 (0.75) KMT2AMEN1ALDH1A1KDM4ELMNA

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
US-4567264-A ADRENERGIC BLOCKING AGENTS SYNTEX (U.S.A.) INC. (US) 1986-01-28 — — US disclosed
US-4558129-A Benzodioxanyl-hydroxyethylene-piperazinyl acetanilides which effect calcium entry and β-blockade SYNTEX (U.S.A.) INC. (US) 1985-12-10 — — US disclosed
EP-0126449-A1 Cardioselective aryloxy- and arylthio-hydroxypropyl piperazinyl acetanilides wich affect calcium entry SYNTEX (U.S.A.) INC. (US) 1984-11-28 — — EP disclosed
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