SCHEMBL6671985

SCHEMBL6671985

O=C(c1n[nH]c2ccc(CN3CCOCC3)cc2c1=O)N(CCCS(=O)(=O)CCCO)Cc1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.39
CHEK1 O14757 4/20 0.37
AKR1C3 P42330 1/20 0.36
KCNH2 Q12809 3/20 0.36
GSK3B P49841 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CDK7 P50613 3/20 0.35
PDE1B Q01064 1/20 0.35
WNT1 P04628 1/20 0.35
DYRK1A Q13627 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
POLA1 P09884 1/20 0.34
MCHR1 Q99705 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL6667925 0.86 ALDH1A1 (0.45) KCNH2USP2ALDH1A1TSHRNPSR1
SCHEMBL6670245 0.82 FLT3 (0.40) JAK2CHEK1AKR1C3KCNH2GSK3B
SCHEMBL6667774 0.81 CHEK1 (0.46) JAK2CHEK1AKR1C3KCNH2GSK3B
SCHEMBL6672697 0.80 JAK2 (0.40) JAK2CHEK1AKR1C3KCNH2GSK3B
SCHEMBL6672201 0.79 JAK2 (0.39) JAK2CHEK1AKR1C3KCNH2GSK3B
SCHEMBL6671988 0.76 ERCC1 (0.40) JAK2KCNH2GSK3BWNT1DYRK1A
SCHEMBL6667851 0.75 ALDH1A1 (0.42) JAK2KCNH2USP2ALDH1A1TSHR
SCHEMBL6667863 0.74 ALDH1A1 (0.43) JAK2KCNH2USP2ALDH1A1TSHR
SCHEMBL6667777 0.73 RAB9A (0.55) JAK2KCNH2GSK3BWNT1DYRK1A
SCHEMBL7532630 0.72 JAK2 (0.55) JAK2CHEK1KCNH2GSK3BCDK7

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
WO-2004019940-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO disclosed