SCHEMBL973686

SCHEMBL973686

CCN(CC)CC.O=S(=O)(O)C(F)(F)CC1CC2CCC1C2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
PER2 O15055 1/20 0.31
CRY1 Q16526 1/20 0.31
CRY2 Q49AN0 1/20 0.31
MEP1B Q16820 1/20 0.31
MAPT P10636 2/20 0.30
SCN9A Q15858 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
GFER P55789 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
SCHEMBL668486 0.90 CYP1A2 (0.37) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL974339 0.88 CYP1A2 (0.36) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL14607359 0.77 MEN1 (0.37) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL26190636 0.77 MEN1 (0.35) MEN1KMT2AHSD17B10NPC1RAB9A
SCHEMBL12256435 0.75 MEN1 (0.37) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL23641340 0.75 CYP1A2 (0.31) CYP1A2CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL973978 0.75 ALDH1A1 (0.33) NPC1RAB9AMAPTALDH1A1HPGD
SCHEMBL18785293 0.75 CYP1A2 (0.35) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL18785775 0.75 CYP1A2 (0.35) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL13259885 0.75 CYP1A2 (0.35) MEN1KMT2ACYP1A2CYP2D6CYP2C9

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
US-7871761-B2 Resist lower layer material, resist lower layer substrate comprising the material and method for forming pattern SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-01-18 US disclosed
US-20080032231-A1 Resist lower layer material, resist lower layer substrate comprising the material and method for forming pattern SHIN-ETSU CHEMICAL CO., LTD. 2008-02-07 US disclosed