SCHEMBL6367346

SCHEMBL6367346

O=C(OC(C#[N+]N(Cc1ccccc1)Cc1ccccc1)CCc1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
HPGD P15428 1/20 0.38
KMT2A Q03164 3/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2D6 P10635 2/20 0.38
CTSG P08311 2/20 0.37
CTRB1 P17538 2/20 0.37
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
OPRM1 P35372 1/20 0.36

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
SCHEMBL5962211 0.87 MMP12 (0.42) SMN1; SMN2TSHRHPGDKMT2AMEN1
SCHEMBL8202589 0.75 ANPEP (0.36) CYP3A4CYP2C19HPGDKMT2ASLC6A2
SCHEMBL6367353 0.70 CYP2D6 (0.50) SMN1; SMN2TP53TSHRHPGDKMT2A
SCHEMBL8702956 0.69 TP53 (0.47) SMN1; SMN2CYP3A4CYP2C9CYP2C19TP53
SCHEMBL16673219 0.69 PRKCA (0.50) SMN1; SMN2CYP3A4CYP2C9CYP2C19TP53
SCHEMBL11303515 0.69 TDP1 (0.45) SMN1; SMN2TP53TSHRKMT2ASLC6A2
SCHEMBL16672589 0.68 HPGD (0.51) SMN1; SMN2TP53TSHRHPGDKMT2A
SCHEMBL2454845 0.68 TDP1 (0.44) SMN1; SMN2TP53TSHRKMT2ASLC6A2
SCHEMBL16673087 0.67 PRKCA (0.51) SMN1; SMN2CYP3A4CYP2C9CYP2C19TP53
SCHEMBL21647766 0.67 TSHR (0.45) SMN1; SMN2CYP3A4CYP2C9CYP2C19TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1063232-B1 Process for producing erythro-3-amino-2-hydroxybutyric acid derivatives DAISO CO LTD (JP) 2005-12-14 EP disclosed
EP-1464638-A1 Process for producing erythro-3-amino-2-hydroxybutyric acid derivatives DAISO CO., LTD. (JP) 2004-10-06 EP disclosed
EP-1063232-A2 Process for producing erythro-3-amino-2-hydroxybutyric acid derivatives DAISO CO., LTD. (JP) 2000-12-27 EP disclosed