SCHEMBL1724259

SCHEMBL1724259

COc1ccc(C2CCCCC2)cc1.COc1ccc(C2CCCCC2)cc1-c1csc(N)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
KDM4E B2RXH2 2/20 0.53
SMN1; SMN2 Q16637 6/20 0.47
MAPT P10636 5/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 3/20 0.47
POLB P06746 1/20 0.47
THRB P10828 1/20 0.45
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LTA4H P09960 1/20 0.42
CYP1A1 P04798 2/20 0.41
CYP1B1 Q16678 2/20 0.41
S1PR1 P21453 1/20 0.40
HTT P42858 1/20 0.40
BACE1 P56817 1/20 0.40
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GFER P55789 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
SCHEMBL1415171 0.94 ALDH1A1 (0.59) ALDH1A1KDM4ESMN1; SMN2MAPTNPC1
SCHEMBL3580804 0.93 ALDH1A1 (0.60) ALDH1A1KDM4ESMN1; SMN2MAPTNPC1
SCHEMBL3600047 0.82 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2MAPTNPC1
SCHEMBL3594756 0.81 ALDH1A1 (0.44) ALDH1A1KDM4ESMN1; SMN2MAPTNPC1
SCHEMBL3598527 0.79 PDE4B (0.42) ALDH1A1KDM4ESMN1; SMN2MAPTNPC1
SCHEMBL5327111 0.79 ALDH1A1 (0.71) ALDH1A1KDM4ESMN1; SMN2MAPTNPC1
SCHEMBL30641473 0.79 ALDH1A1 (0.71) ALDH1A1KDM4ESMN1; SMN2MAPTNPC1
SCHEMBL2990370 0.78 TUBB4A (0.49) ALDH1A1KDM4ESMN1; SMN2MAPTNPC1
SCHEMBL3580803 0.78 PDE4B (0.42) ALDH1A1KDM4ESMN1; SMN2MAPTTHRB
SCHEMBL1415794 0.73 S1PR1 (0.42) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A

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-1656373-B1 DERIVATIVES OF 2-ACYLAMINO-4-PHENYLTHIAZOLE, PREPARATION METHOD THEREOF AND USE OF SAME AS CHEMOKINEANTAGONISTS SANOFI SA (FR) 2012-01-18 EP disclosed
EP-1656373-A2 DERIVATIVES OF 2-ACYLAMINO-4-PHENYLTHIAZOLE, PREPARATION METHOD THEREOF AND USE OF SAME AS CHEMOKINEANTAGONISTS Sanofi-Aventis (FR) 2006-05-17 EP disclosed
WO-2004096798-A2 DERIVATIVES OF 2-ACYLAMINO-4-PHENYLTHIAZOLE, PREPARATION METHOD THEREOF AND USE OF SAME AS CHEMOKINE ANTAGONISTS SANOFI-AVENTIS (FR) 2004-11-11 WO disclosed