SCHEMBL7107843

SCHEMBL7107843

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.52
TSHR P16473 1/20 0.48
IDO1 P14902 2/20 0.47
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 2/20 0.47
ACHE P22303 1/20 0.47
CYP2C19 P33261 3/20 0.46
POLB P06746 1/20 0.46
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 1/20 0.43
KCNJ1 P48048 1/20 0.43
KCNH2 Q12809 1/20 0.43
MAPT P10636 1/20 0.43
PYCR1 P32322 1/20 0.42
RECQL P46063 1/20 0.42
KDM4E B2RXH2 1/20 0.42
AKR1C3 P42330 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 0.84 LOXL2 (0.55) LOXL2TSHRIDO1ALDH1A1HSD17B10
SCHEMBL97944 0.81 LOXL2 (0.52) LOXL2TSHRIDO1ALDH1A1HSD17B10
SCHEMBL1627332 0.81 TSHR (0.53) LOXL2TSHRIDO1ALDH1A1HSD17B10
SCHEMBL776520 0.81 LOXL2 (0.57) LOXL2TSHRIDO1ALDH1A1HSD17B10
SCHEMBL7107845 0.79 LOXL2 (0.50) LOXL2TSHRIDO1ALDH1A1HSD17B10
SCHEMBL18387801 0.79 LOXL2 (0.50) LOXL2TSHRIDO1ALDH1A1HSD17B10
SCHEMBL18387787 0.79 TSHR (0.52) LOXL2TSHRIDO1ALDH1A1HSD17B10
SCHEMBL28640026 0.79 TSHR (0.47) LOXL2TSHRIDO1ALDH1A1HSD17B10
SCHEMBL9307922 0.78 LOXL2 (0.58) LOXL2TSHRIDO1ALDH1A1HSD17B10
SCHEMBL9155804 0.78 LOXL2 (0.48) LOXL2TSHRIDO1ALDH1A1HSD17B10

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