SCHEMBL3949019

SCHEMBL3949019

N#CCCCOc1cccc(-c2cs[c]n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
P2RY12 Q9H244 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
KDM4E B2RXH2 1/20 0.36
DHODH Q02127 1/20 0.35
MAOB P27338 2/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGES O14684 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
PFKFB3 Q16875 1/20 0.33

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
SCHEMBL3945152 0.83 SMN1; SMN2 (0.40) SMN1; SMN2CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL17626100 0.83 ALDH1A1 (0.42) SMN1; SMN2CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL17626237 0.80 MAPT (0.49) SMN1; SMN2KDM4E
SCHEMBL500272 0.74 CYP19A1 (0.49) SMN1; SMN2CYP19A1KDM4EMAOB
SCHEMBL17625946 0.70 CTSS (0.48) CTSSCTSK
SCHEMBL9172967 0.70 PRMT6 (0.43) LTB4RPDE3BPDE3AP2RY12
SCHEMBL3606319 0.70 ALDH1A1 (0.47) SMN1; SMN2
SCHEMBL3943459 0.69 BRAF (0.33) SMN1; SMN2CTSSCTSK
SCHEMBL6050957 0.69 KDM4E (0.51) KDM4EMAOB
SCHEMBL25377732 0.68 TSHR (0.58) MAOB

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
EP-2010508-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES AstraZeneca AB (SE) 2009-01-07 EP disclosed
WO-2007120096-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES ASTRAZENECA AB (SE) 2007-10-25 WO disclosed