SCHEMBL5428541

SCHEMBL5428541

CCCN(C(=O)C1CCC(C)CC1)c1nn(-c2ccc(-c3cc4ncccn4n3)cc2)cc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
JAK2 O60674 4/20 0.33
JAK3 P52333 4/20 0.33
SYK P43405 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
ALDH1A1 P00352 3/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 2/20 0.31
HPGD P15428 2/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL5428546 1.00 APOBEC3A (0.33) APOBEC3AAPOBEC3GJAK2JAK3SYK
SCHEMBL14542079 0.95 KDM4E (0.34) APOBEC3AAPOBEC3GJAK2JAK3SYK
SCHEMBL14541940 0.94 APOBEC3A (0.34) APOBEC3AAPOBEC3GJAK2JAK3SYK
SCHEMBL5410016 0.92 USP2 (0.32) APOBEC3AAPOBEC3GSYKALDH1A1KMT2A
SCHEMBL5410022 0.92 USP2 (0.32) APOBEC3AAPOBEC3GSYKALDH1A1KMT2A
SCHEMBL5404818 0.92 ALDH1A1 (0.35) APOBEC3AAPOBEC3GSYKIRAK4ALDH1A1
SCHEMBL5404822 0.92 ALDH1A1 (0.35) APOBEC3AAPOBEC3GSYKIRAK4ALDH1A1
SCHEMBL14542081 0.92 OPRM1 (0.32) APOBEC3AAPOBEC3GSYKIRAK4TDP1
SCHEMBL5332066 0.90 HRH3 (0.33) SYKALDH1A1KMT2AKDM4EHPGD
SCHEMBL5332073 0.90 HRH3 (0.33) SYKALDH1A1KMT2AKDM4EHPGD

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-2007039146-A1 4-CARBOXY PYRAZOLE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-12 WO disclosed