SCHEMBL3230139

SCHEMBL3230139

CCOC(=O)C1CCN(c2nc(-c3ccccc3OCc3ccc(-c4ccc(C#N)cc4)cc3)c(Cl)s2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
CCR5 P51681 1/20 0.40
TP53 P04637 3/20 0.39
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 3/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
ACHE P22303 1/20 0.38
EGFR P00533 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
RET P07949 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ATM Q13315 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 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
SCHEMBL3238099 0.90 HPGD (0.41) CCR5TP53KMT2AKDM4EMEN1
SCHEMBL3230733 0.84 LTA4H (0.40) TP53KMT2AKDM4EMEN1ALDH1A1
SCHEMBL3233338 0.84 SMN1; SMN2 (0.41) TP53KMT2AKDM4EMEN1ALDH1A1
SCHEMBL3231470 0.82 TP53 (0.48) MAPTTP53KMT2AKDM4EMEN1
SCHEMBL3230749 0.78 SMN1; SMN2 (0.40) TP53KMT2AKDM4EMEN1ALDH1A1
SCHEMBL3228904 0.78 MAPT (0.53) MAPTTP53KDM4EALDH1A1L3MBTL1
SCHEMBL3235310 0.77 SMN1; SMN2 (0.42) MAPTCCR5TP53KMT2APOLB
SCHEMBL3238419 0.74 SMN1; SMN2 (0.46) KMT2AKDM4EMEN1ALDH1A1L3MBTL1
SCHEMBL3231465 0.73 ALDH1A1 (0.44) MAPTTP53ALDH1A1LMNAPOLB
SCHEMBL3231553 0.72 SMN1; SMN2 (0.46) MAPTTP53KMT2AMEN1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010015652-A2 THIAZOLE COMPOUNDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE SMITHKLINE BEECHAM CORPORATION (US) 2010-02-11 WO disclosed
WO-2010015652-A2 THIAZOLE COMPOUNDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE SMITHKLINE BEECHAM CORPORATION (US) 2010-02-11 WO disclosed