SCHEMBL7107845

SCHEMBL7107845

CC(C)(Cc1ccc([N+](=O)[O-])cc1)SC(C)(C)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.50
TSHR P16473 1/20 0.47
CYP2C19 P33261 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 1/20 0.46
IDO1 P14902 4/20 0.46
ALDH1A1 P00352 3/20 0.45
ACHE P22303 2/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 1/20 0.44
MAPT P10636 2/20 0.43
BCHE P06276 1/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
KCNJ1 P48048 1/20 0.42
KCNH2 Q12809 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL75530 0.82 LOXL2 (0.55) LOXL2TSHRCYP2C19CYP1A2CYP2C9
SCHEMBL776520 0.79 LOXL2 (0.57) LOXL2TSHRCYP2C19CYP1A2CYP2C9
SCHEMBL97944 0.79 LOXL2 (0.52) LOXL2TSHRCYP2C19CYP1A2CYP2C9
SCHEMBL1627332 0.79 TSHR (0.53) LOXL2TSHRCYP2C19IDO1ALDH1A1
SCHEMBL7107843 0.79 LOXL2 (0.52) LOXL2TSHRCYP2C19CYP1A2CYP2C9
SCHEMBL18387787 0.78 TSHR (0.52) LOXL2TSHRCYP2C19CYP1A2IDO1
SCHEMBL18387801 0.78 LOXL2 (0.50) LOXL2TSHRCYP2C19CYP1A2CYP2C9
SCHEMBL9307922 0.76 LOXL2 (0.58) LOXL2TSHRCYP2C19CYP1A2CYP2C9
SCHEMBL9155804 0.76 LOXL2 (0.48) LOXL2TSHRCYP2C19CYP1A2CYP2C9
SCHEMBL6667989 0.75 TSHR (0.49) LOXL2TSHRCYP2C19CYP1A2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1044965-B1 PROCESS FOR THE PREPARATION OF AROMATIC SULFUR COMPOUNDS NIPPON FINECHEMICAL CO LTD (JP) 2003-10-01 EP disclosed
US-6376716-B1 REACTING AN AROMATIC THIOETHER WITH LEWIS ACIDS; FORMING AROMATIC MERCAPTAN NIPPON FINECHEMICAL CO., LTD. (JP) 2002-04-23 US disclosed
EP-1044965-A1 PROCESS FOR THE PREPARATION OF AROMATIC SULFUR COMPOUNDS Nippon Finechemical Co., Ltd. (JP) 2000-10-18 EP disclosed