SCHEMBL5822353

SCHEMBL5822353

CCOC(=O)c1nc2ccccc2n1C(C)SC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
HSD17B10 Q99714 1/20 0.43
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 2/20 0.40
GAA P10253 2/20 0.39
POLB P06746 2/20 0.39
PSMD14 O00487 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
NPC1 O15118 1/20 0.39
RECQL P46063 1/20 0.38
APAF1 O14727 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
SCHEMBL4292449 0.76 KDM4E (0.48) KDM4EHSD17B10HPGDSMN1; SMN2ALDH1A1
SCHEMBL20893365 0.72 RAB9A (0.57) KDM4EHSD17B10HPGDSMN1; SMN2ALDH1A1
SCHEMBL9670397 0.68 KDM4E (0.57) KDM4EHSD17B10HPGDSMN1; SMN2ALDH1A1
SCHEMBL24187368 0.67 KDM4E (0.56) KDM4EHSD17B10HPGDSMN1; SMN2ALDH1A1
SCHEMBL4297543 0.67 KDM4E (0.56) KDM4EHSD17B10HPGDSMN1; SMN2ALDH1A1
SCHEMBL1586265 0.67 SMN1; SMN2 (0.50) KDM4EHSD17B10HPGDSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL28961226 0.66 KDM4E (0.55) KDM4EHSD17B10HPGDSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL30396830 0.66 KDM4E (0.55) KDM4EHSD17B10HPGDSMN1; SMN2ALDH1A1
SCHEMBL1585673 0.66 KDM4E (0.42) KDM4EHSD17B10HPGDSMN1; SMN2ALDH1A1
SCHEMBL7970314 0.65 ALDH1A1 (0.58) KDM4EHSD17B10SMN1; SMN2ALDH1A1POLB

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-2006121904-A1 GLUCOSE-DEPENDENT INSULINOTROPIC POLYPEPTIDE (GIP) RECEPTOR AGONISTS AND THEIR PHARMACOLOGICAL METHODS OF USE BAYER PHARMACEUTICALS CORPORATION (US) 2006-11-16 WO disclosed