SCHEMBL7724506

SCHEMBL7724506

Cc1ccc(C(c2ccccc2)S(=O)(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
SRC P12931 1/20 0.47
CYP2D6 P10635 1/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 5/20 0.46
NPY2R P49146 1/20 0.44
CYP2C19 P33261 1/20 0.44
CNR2 P34972 3/20 0.42
KEAP1 Q14145 3/20 0.42
NFE2L2 Q16236 3/20 0.42
CNR1 P21554 2/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
GMNN O75496 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 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
SCHEMBL8360847 0.89 SRC (0.56) LMNASRCCYP2D6MAPK1ALDH1A1
SCHEMBL496890 0.87 SRC (0.58) LMNASRCCYP2D6MAPK1ALDH1A1
SCHEMBL9244633 0.85 SRC (0.56) LMNASRCCYP2D6MAPK1ALDH1A1
SCHEMBL7109821 0.83 NPY2R (0.46) LMNACYP2D6MAPK1ALDH1A1NPY2R
SCHEMBL27891280 0.79 MAOA (0.44) SRCALDH1A1CYP2C19MAPTTDP1
SCHEMBL27601765 0.76 SRC (0.47) LMNASRCCYP2D6MAPK1ALDH1A1
SCHEMBL1439868 0.76 SLC6A3 (0.54) LMNASRCALDH1A1CYP2C19KMT2A
SCHEMBL29001104 0.76 UGT2B7 (0.47) SRCCYP2D6ALDH1A1CYP2C19KMT2A
SCHEMBL152325 0.74 CHRNA7 (0.44) LMNASRCCYP2D6MAPK1ALDH1A1
Toluene SCHEMBL27369784 0.74 TSHR (0.52) LMNASRCCYP2D6MAPK1ALDH1A1

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-6403801-B1 MIXING IN LIQUID MEDIUM STRONG BASE, ARYL HALIDE OR ARYL PSEUDOHALIDE, ARYLBORONIC ACID, NICKEL, PALLADIUM OR PLATINUM COMPOUND, N-HETEROCYCLIC CARBENE SELECTED FROM IMIDAZOLINE-2-YLIDENE, BIS(IMIDAZOLINE-2-YLIDENE) OR SALTS UNIVERSITY OF NEW ORLEANS RESEARCH & TECHNOLOGY FOUNDATION 2002-06-11 US claimed
WO-2001066248-A2 C-C AND C-N COUPLING CATALYST COMPRISING TRANSITION METAL AND CARBENE UNIVERSITY OF NEW ORLEANS RESEARCH AND TECHNOLOGY FOUNDATION (US) 2001-09-13 WO claimed