SCHEMBL9703420

SCHEMBL9703420

C=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.43

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
C5AR1 P21730 1/20 0.43
CNR2 P34972 1/20 0.42
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
THPO P40225 1/20 0.39
CA12 O43570 3/20 0.38
CA9 Q16790 3/20 0.38
CYP1A2 P05177 2/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
RECQL P46063 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PTGS2 P35354 1/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL9634534 0.83 HIF1A (0.52) CYP3A4CYP2D6LMNAMAPK1THPO
SCHEMBL6230992 0.81 CYP3A4 (0.46) CNR2CYP3A4CYP2D6LMNAMAPK1
SCHEMBL4921374 0.79 CYP3A4 (0.46) CNR2CYP3A4CYP2D6LMNAMAPK1
SCHEMBL2461048 0.79 CYP3A4 (0.40) C5AR1CNR2CYP3A4CYP2D6LMNA
Tetraphenylphosphonium SCHEMBL28641132 0.77 CA12 (0.46) C5AR1CYP3A4CYP2D6LMNAMAPK1
Butyltriphenylphosphonium SCHEMBL6928248 0.77 CNR2 (0.45) CNR2CYP3A4CYP2D6LMNAMAPK1
SCHEMBL9634538 0.77 ALDH1A1 (0.51) CNR2CYP3A4CYP2D6LMNAMAPK1
SCHEMBL128521 0.76 CA12 (0.44) C5AR1CNR2CYP3A4CYP2D6LMNA
SCHEMBL6232589 0.75 ALDH1A1 (0.40) CYP3A4CYP2D6LMNAMAPK1THPO
SCHEMBL9777641 0.75 CYP3A4 (0.41) CNR2CYP3A4CYP2D6LMNAMAPK1

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-5147747-A Low fusing temperature tone powder of crosslinked crystalline and amorphous polyesters EASTMAN KODAK COMPANY (US) 1992-09-15 US disclosed