SCHEMBL9634534

SCHEMBL9634534

Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.c1ccc([P+](CC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.52

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
HIF1A Q16665 1/20 0.52
CYP3A4 P08684 4/20 0.43
CYP2D6 P10635 3/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
THPO P40225 1/20 0.43
ALDH1A1 P00352 5/20 0.43
CA12 O43570 3/20 0.42
CA9 Q16790 3/20 0.42
CYP1A2 P05177 3/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CYP2C19 P33261 3/20 0.42
TSHR P16473 1/20 0.42
RECQL P46063 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL10484490 0.91 HIF1A (0.43) HIF1ACYP3A4CYP2D6LMNAMAPK1
Butyltriphenylphosphonium SCHEMBL6928248 0.89 CNR2 (0.45) HIF1ACYP3A4CYP2D6LMNAMAPK1
SCHEMBL9634538 0.89 ALDH1A1 (0.51) HIF1ACYP3A4CYP2D6LMNAMAPK1
SCHEMBL6230992 0.88 CYP3A4 (0.46) CYP3A4CYP2D6LMNAMAPK1THPO
SCHEMBL6232589 0.88 ALDH1A1 (0.40) HIF1ACYP3A4CYP2D6LMNAMAPK1
SCHEMBL9634519 0.87 NR1I2 (0.48) HIF1ACYP3A4CYP2D6LMNAMAPK1
SCHEMBL9675753 0.87 NR1I2 (0.48) HIF1ACYP3A4CYP2D6LMNAMAPK1
SCHEMBL2230521 0.85 ALDH1A1 (0.38) HIF1ACYP3A4CYP2D6LMNAMAPK1
SCHEMBL4921374 0.85 CYP3A4 (0.46) CYP3A4CYP2D6LMNAMAPK1THPO
SCHEMBL34197 0.84 TRAP1 (0.39) HIF1ACYP3A4CYP2D6LMNAMAPK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4496643-A PHOSPHONIUM, ARSONIUM, OR STIBONIUM COMPOUND IN BINDER AS TONER AND FLUOROCARBON CARRIER COATED PARTICLES EASTMAN KODAK COMPANY (US) 1985-01-29 US claimed
EP-0315082-B1 PROCESS FOR INCREASING THE ELECTROSTATIC CHARGEABILITY OF POWDER PAINTS OR POWDERS AND THEIR USE IN THE SURFACE COATING OF SOLID ITEMS HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-06 EP disclosed
US-5021473-A With mixture of polymer(s) and catonic compound HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-04 US disclosed
EP-0315082-A2 Process for increasing the electrostatic chargeability of powder paints or powders and their use in the surface coating of solid items HOECHST AKTIENGESELLSCHAFT (DE) 1989-05-10 EP disclosed
EP-0161128-A1 Two-component dry electrostatic developer composition EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1985-11-13 EP disclosed