SCHEMBL6889935

SCHEMBL6889935

CCCc1c(C(N)=O)cc(-c2ccsc2)c(CCC)c1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 2/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
CHEK2 O96017 5/20 0.38
IKBKB O14920 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ADORA1 P30542 4/20 0.36
ADORA2A P29274 3/20 0.36
CHEK1 O14757 1/20 0.35
CSNK1D P48730 1/20 0.35
CSNK1E P49674 1/20 0.35
ADORA3 P0DMS8 2/20 0.34
ADORA2B P29275 2/20 0.34
CDC7 O00311 1/20 0.34
RET P07949 1/20 0.34

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
SCHEMBL7055568 0.81 BCAT2 (0.46) IKBKB
Hydrochloric Acid SCHEMBL5377283 0.78 MKNK1 (0.51) BTKKMT2A
SCHEMBL3352707 0.77 ALDH1A1 (0.41) MAPTMEN1KMT2AHSD17B10USP2
SCHEMBL28525528 0.74 BTK (0.44) BTKMAPTMEN1KMT2AHSD17B10
SCHEMBL3350744 0.73 HPGD (0.37) MEN1KMT2AHSD17B10CHEK2ALDH1A1
SCHEMBL3356756 0.73 STING1 (0.38) CSNK1DCSNK1E
SCHEMBL20453825 0.73 BTK (0.41) BTKMAPTMEN1KMT2AHSD17B10
Hydrochloric Acid SCHEMBL3349083 0.72 HPGD (0.36) MEN1KMT2AHSD17B10CHEK2ALDH1A1
Hydrochloric Acid SCHEMBL3351578 0.72 HPGD (0.36) MEN1KMT2AHSD17B10CHEK2ALDH1A1
SCHEMBL3355465 0.72 KDM4E (0.39) MAPTMEN1KMT2AHSD17B10ALDH1A1

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