SCHEMBL7292491

SCHEMBL7292491

CCCCSc1ccc(NC(=O)CN2CCNCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.53
▸ KDM4E B2RXH2 4/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ATM Q13315 1/20 0.45
▸ THRB P10828 1/20 0.44
▸ KHK P50053 1/20 0.44

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
SCHEMBL7438908 0.86 POLB (0.50) ALDH1A1KDM4ENPC1MEN1KMT2A
SCHEMBL7279123 0.82 KHK (0.53) ALDH1A1KDM4ENPC1RAB9AMEN1
SCHEMBL7279730 0.81 MEN1 (0.61) ALDH1A1KDM4ENPC1RAB9AMEN1
SCHEMBL7278718 0.79 ALDH1A1 (0.62) ALDH1A1KDM4ENPC1MEN1KMT2A
SCHEMBL7282287 0.78 NPC1 (0.58) ALDH1A1KDM4ENPC1RAB9AMEN1
SCHEMBL7289666 0.78 ALDH1A1 (0.54) ALDH1A1KDM4ENPC1MEN1KMT2A
SCHEMBL10837614 0.77 SMN1; SMN2 (0.46) ALDH1A1KDM4ENPC1MEN1KMT2A
SCHEMBL7279358 0.76 ALDH1A1 (0.50) ALDH1A1KDM4ENPC1MEN1KMT2A
SCHEMBL7278994 0.75 SMN1; SMN2 (0.73) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL5751507 0.75 ALDH1A1 (0.75) ALDH1A1KDM4EMEN1KMT2ALMNA

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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