SCHEMBL2879246

SCHEMBL2879246

CC1CCC(C(=O)N(c2cc(-c3ccc(C#N)cc3)sc2OC(=O)O)C2CCC(O)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MCHR1 Q99705 1/20 0.32
GPR119 Q8TDV5 1/20 0.31
KDM4E B2RXH2 2/20 0.31
CHEK1 O14757 4/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31
CDK2AP1 O14519 1/20 0.31
STK17B O94768 1/20 0.31
MAP3K8 P41279 1/20 0.31
HTT P42858 1/20 0.31
ATM Q13315 1/20 0.31
USP30 Q70CQ3 1/20 0.30
HSD17B1 P14061 1/20 0.30
HSD17B2 P37059 1/20 0.30
NR1I2 O75469 2/20 0.30

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
SCHEMBL2874208 0.88 KDM4E (0.38) KDM4EHTTATMUSP30NR1I2
SCHEMBL2877206 0.88 KDM4E (0.38) KDM4EHTTATMUSP30NR1I2
SCHEMBL2874240 0.88 KDM4E (0.38) KDM4EHTTATMUSP30NR1I2
SCHEMBL2874935 0.88 NR1I2 (0.39) HDAC1HDAC6MCHR1KDM4ECHEK1
SCHEMBL2879111 0.88 IKBKB (0.37) KDM4EHTTATM
SCHEMBL2881302 0.88 HSD17B1 (0.34) KDM4ECHEK1MAP3K8HTTATM
SCHEMBL2874941 0.87 NPC1 (0.36) HDAC6KDM4ECHEK1MAP3K8HTT
SCHEMBL2878697 0.87 HDAC6 (0.31) HDAC6CHEK1STK17B
SCHEMBL2876896 0.84 NR1I2 (0.31) NR1I2
SCHEMBL2879449 0.84 KDM4E (0.36) KDM4EHTTATMUSP30

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-1569929-B9 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC (CA) 2011-09-14 EP claimed
EP-1569929-B1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC (CA) 2010-05-05 EP claimed