SCHEMBL8059417

SCHEMBL8059417

CCCCCCOc1ccccc1[N+]#N.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.41

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 known ✓ P08172 1/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
NR1I2 O75469 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRA2A P08913 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TSHR P16473 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
KCNH2 Q12809 1/20 0.40
HIF1A Q16665 1/20 0.40
S1PR3 Q99500 1/20 0.39

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
SCHEMBL7520689 0.86 TSHR (0.39) LMNATSHRCYP2D6CYP2C9CYP2C19
SCHEMBL8059419 0.86 MAPT (0.42) LMNAMAPTMEN1NR1I2CHRM2
SCHEMBL4741613 0.84 LMNA (0.50) LMNAMAPTMEN1NR1I2CHRM2
SCHEMBL3312542 0.84 LMNA (0.50) LMNAMAPTMEN1NR1I2CHRM2
SCHEMBL7513550 0.81 S1PR3 (0.40) LMNANR1I2TSHRCYP2D6CYP2C9
SCHEMBL8051743 0.78 S1PR3 (0.40) LMNAMAPTMEN1NR1I2CHRM2
SCHEMBL3132636 0.73 GAA (0.40) LMNAMAPTMEN1CYP3A4KMT2A
SCHEMBL9760787 0.72 LMNA (0.41) LMNATSHRCYP2D6CYP2C9CYP2C19
SCHEMBL9418021 0.72 ALDH1A1 (0.46) TSHRALDH1A1TP53
SCHEMBL4605693 0.72 ALDH1A1 (0.46) TSHRALDH1A1TP53

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-6162574-A Image recording material FUJI PHOTO FILM CO., LTD. (JP) 2000-12-19 US disclosed