SCHEMBL10894909

SCHEMBL10894909

CCN(CC)CCCNc1ccc(N)cc1S(=O)(=O)NN1CCN(C)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 13/20 0.43
▸ L3MBTL3 Q96JM7 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ CACNA1B Q00975 1/20 0.36
▸ APBA1 Q02410 1/20 0.36
▸ APAF1 O14727 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ MITF O75030 1/20 0.35
▸ NSD2 O96028 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ APP P05067 1/20 0.35
▸ PDK1 Q15118 1/20 0.35
▸ PDK2 Q15119 1/20 0.35
▸ PDK3 Q15120 1/20 0.35
▸ PDK4 Q16654 1/20 0.35
▸ USP2 O75604 1/20 0.33

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
SCHEMBL10889054 0.84 METAP2 (0.45) METAP2L3MBTL3MAPTALDH1A1APAF1
SCHEMBL10887855 0.82 ALDH1A1 (0.38) METAP2MAPTALDH1A1
SCHEMBL10892360 0.81 ALDH1A1 (0.45) METAP2MAPTALDH1A1RAB9A
SCHEMBL10893997 0.78 ALDH1A1 (0.40) METAP2MAPTALDH1A1
SCHEMBL10895233 0.78 MAPT (0.45) MAPTALDH1A1TDP1CACNA1BAPBA1
SCHEMBL10895262 0.76 L3MBTL3 (0.50) METAP2L3MBTL3ALDH1A1PDK1PDK2
SCHEMBL11013279 0.74 L3MBTL3 (0.49) METAP2L3MBTL3MAPTALDH1A1APP
SCHEMBL10894580 0.74 CHEK1 (0.45) METAP2MAPTALDH1A1APP
SCHEMBL10893396 0.73 L3MBTL3 (0.46) METAP2L3MBTL3ALDH1A1PDK1PDK2
SCHEMBL10891736 0.72 SMN1; SMN2 (0.47) METAP2MAPTALDH1A1TDP1

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-4588810-A Basic triphendioxazine dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1986-05-13 — — US disclosed
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