SCHEMBL6892124

SCHEMBL6892124

CCCN(CCC)C(=O)c1cc(NC(=O)c2cccs2)cc(C(N)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.50
▸ MEN1 O00255 6/20 0.50
▸ BCHE P06276 2/20 0.50
▸ MAPK1 P28482 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ MAPT P10636 4/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ LMNA P02545 2/20 0.47
▸ TRPA1 O75762 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ RAB9A P51151 5/20 0.47
▸ NPC1 O15118 4/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ADRB2 P07550 1/20 0.45
▸ GFER P55789 1/20 0.45

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
SCHEMBL16615807 0.83 NPC1 (0.63) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL6896043 0.78 ALDH1A1 (0.49) KMT2AMEN1BCHESMN1; SMN2LMNA
SCHEMBL6894849 0.76 MLYCD (0.49) HSD17B10LMNAALDH1A1TP53HPGD
SCHEMBL3352714 0.76 MLYCD (0.49) HSD17B10LMNAALDH1A1TP53HPGD
SCHEMBL6887558 0.74 MLYCD (0.48) HPGD
SCHEMBL6139506 0.71 MLYCD (0.44) KMT2AMEN1SMN1; SMN2LMNATDP1
SCHEMBL2206850 0.71 TP53 (0.51) KMT2ATDP1ALDH1A1TP53HPGD
SCHEMBL5130313 0.71 MLYCD (0.44) SMN1; SMN2RAB9ATP53HPGD
SCHEMBL7055563 0.71 DHODH (0.56) MAPTSMN1; SMN2LMNAHTTALDH1A1
SCHEMBL3349246 0.70 KDM4E (0.45) HSD17B10LMNAPOLBTDP1ALDH1A1

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
JP-2004502669-A — — 2004-01-29 — — JP claimed
EP-1353898-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-10-22 — — EP claimed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 — — WO claimed
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