SCHEMBL833375

SCHEMBL833375

C=S(=O)(NC(=O)c1c(-c2ccc(C)[nH]c2=O)c2cc(C)c(F)cc2n1Cc1cc2ccccc2nc1Cl)C1CC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.59
FAAH O00519 1/20 0.33
PCK1 P35558 2/20 0.31
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 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
SCHEMBL831663 0.93 CYP2C8 (0.60) CYP2C8FAAHRAB9ASMN1; SMN2HDAC3
SCHEMBL831646 0.84 CYP2C8 (0.74) CYP2C8FAAH
SCHEMBL832518 0.78 CYP2C8 (0.79) CYP2C8FAAH
SCHEMBL832172 0.78 CYP2C8 (0.76) CYP2C8
SCHEMBL12665636 0.78 CYP2C8 (0.78) CYP2C8FAAH
SCHEMBL831650 0.78 CYP2C8 (0.65) CYP2C8FAAHRAB9ASMN1; SMN2
SCHEMBL862278 0.77 CYP2C8 (0.64) CYP2C8FAAH
SCHEMBL13905194 0.76 CYP2C8 (0.61) CYP2C8SMN1; SMN2
SCHEMBL8859155 0.75 CYP2C8 (0.68) CYP2C8
SCHEMBL832191 0.75 CYP2C8 (0.51) CYP2C8

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
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed