SCHEMBL4756161

SCHEMBL4756161

COC(=O)c1cnccc1NCCSC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
MAPK10 P53779 1/20 0.44
KDM4E B2RXH2 5/20 0.43
GLA P06280 2/20 0.43
ALDH1A1 P00352 3/20 0.42
GAA P10253 1/20 0.42
KIF11 P52732 4/20 0.41
KDM4C Q9H3R0 6/20 0.39
KDM6B O15054 5/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
HSD17B10 Q99714 3/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL4756158 0.78 L3MBTL1 (0.46) KDM4EGLAALDH1A1KIF11SIRT2
SCHEMBL1523353 0.75 KDM4C (0.62) MAPK8MAPK9MAPK10KDM4EGLA
SCHEMBL4292881 0.75 SIRT2 (0.42) KDM4EALDH1A1KIF11SIRT2HPGD
SCHEMBL4295736 0.74 SIRT2 (0.43) KIF11SIRT2
SCHEMBL4288183 0.74 HCAR3 (0.49) KDM4EKIF11SIRT2KMT2A
SCHEMBL21767777 0.73 KDM4E (0.53) MAPK8MAPK9MAPK10KDM4EGLA
SCHEMBL4290857 0.72 AGTR1 (0.47) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL4297412 0.71 AGTR1 (0.42) KDM4EKIF11SIRT2HSD17B10TSHR
SCHEMBL4301697 0.70 AGTR1 (0.41) KDM4EKIF11SIRT2HSD17B10TSHR
SCHEMBL14874214 0.70 KDM4E (0.59) MAPK8MAPK9MAPK10KDM4EGLA

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-1896048-A2 PITUITARY ADENYLATE CYCLASE ACTIVATING PEPTIDE (PACAP) RECEPTOR (VPAC2) AGONISTS AND THEIR PHARMACOLOGICAL METHODS OF USE Bayer Pharmaceuticals Corporation (US) 2008-03-12 EP disclosed
WO-2006121588-A2 PITUITARY ADENYLATE CYCLASE ACTIVATING PEPTIDE (PACAP) RECEPTOR (VPAC2) AGONISTS AND THEIR PHARMACOLOGICAL METHODS OF USE BAYER PHARMACEUTICALS CORPORATION (US) 2006-11-16 WO disclosed