SCHEMBL5817835

SCHEMBL5817835

CCOC(=O)N1CCC(c2nc(-c3ccccc3F)c(-c3ccnc(NCCc4ccccc4)n3)s2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KCNH2 Q12809 2/20 0.43
NR1I2 O75469 1/20 0.42
GRIN2B Q13224 2/20 0.41
TP53 P04637 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
OGA O60502 2/20 0.40
CCR8 P51685 1/20 0.39
EGFR P00533 3/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL5817915 0.87 CDK2 (0.51) ALDH1A1KDM4EMEN1GAAMAPK1
SCHEMBL5812677 0.86 CDK2 (0.48) ALDH1A1KDM4EMEN1GAAMAPK1
SCHEMBL5814889 0.85 EGFR (0.45) ALDH1A1KDM4EMEN1GAAMAPK1
SCHEMBL5818416 0.85 CDK2 (0.47) ALDH1A1KDM4EMEN1GAAMAPK1
SCHEMBL5819607 0.83 KCNH2 (0.59) KCNH2EGFR
SCHEMBL5819555 0.83 KMT2A (0.43) ALDH1A1KDM4EMEN1GAAMAPK1
SCHEMBL5819605 0.81 ALDH1A1 (0.42) ALDH1A1KDM4EMEN1GAAMAPK1
SCHEMBL5815854 0.78 EGFR (0.62) KCNH2EGFR
SCHEMBL5819551 0.77 KCNH2 (0.58) KCNH2EGFR
SCHEMBL5819446 0.77 EGFR (0.51) KCNH2EGFR

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-2006137658-A1 NEW SUBSTITUTED 1,3-THIAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVING IMMUNOSUPPRESSION AND INFLAMMATION INHIBITORY ACITIVITY, INTERMEDIATE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, A PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONGBU HITEK CO., LTD. (KR) 2006-12-28 WO disclosed