SCHEMBL974742

SCHEMBL974742

CCN(CC)CC.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 3/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 2/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
PGR P06401 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL27860967 0.91 KMT2A (0.44) KMT2ATSHRTP53MEN1LMNA
SCHEMBL382685 0.89 TSHR (0.47) KMT2ATSHRTP53MEN1LMNA
SCHEMBL482458 0.88 TSHR (0.46) KMT2ATSHRTP53MEN1LMNA
Hydrogen Sulfide SCHEMBL2882266 0.88 TSHR (0.46) KMT2ATSHRTP53MEN1LMNA
SCHEMBL18785766 0.84 TP53 (0.42) KMT2ATSHRTP53MEN1LMNA
SCHEMBL18786007 0.83 MLYCD (0.36) KMT2ATSHRTP53MEN1LMNA
SCHEMBL15216348 0.82 ALDH1A1 (0.40) KMT2ATSHRMEN1CYP2C19MAPT
SCHEMBL383712 0.81 PDCD1 (0.53) KMT2ATSHRTP53MAPTPDCD1
SCHEMBL18785967 0.81 POLB (0.43) TSHRLMNACYP1A2CYP2D6CYP2C19
SCHEMBL18785759 0.81 LMNA (0.42) KMT2ATSHRTP53LMNACYP2D6

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