SCHEMBL10967232

SCHEMBL10967232

COC(=O)C(C)Sc1cc[c]cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 4/20 0.39
HPGD P15428 4/20 0.39
APOBEC3G Q9HC16 1/20 0.39
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
HSD17B10 Q99714 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
LMNA P02545 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL4614321 0.83 MAPT (0.45) ALDH1A1TSHRPOLBKDM4EHPGD
SCHEMBL5094461 0.81 ALDH1A1 (0.52) ALDH1A1KDM4EKMT2ARXFP1HSD17B10
SCHEMBL645556 0.79 LMNA (0.42) ALDH1A1TSHRKDM4EHPGDRXFP1
SCHEMBL16334438 0.79 ALDH1A1 (0.46) ALDH1A1TSHRPOLBKDM4EHPGD
SCHEMBL14346648 0.79 TSHR (0.59) ALDH1A1TSHRHPGDHSD17B10CYP1A2
SCHEMBL995726 0.76 HPGD (0.46) ALDH1A1HPGDKMT2ASMN1; SMN2L3MBTL1
SCHEMBL23130991 0.75 ALDH1A1 (0.46) ALDH1A1TSHRPOLBKDM4EHPGD
SCHEMBL7896753 0.71 EPHX1 (0.67) ALDH1A1KMT2AMEN1RXFP1
SCHEMBL9360194 0.70 EPHX1 (0.49) ALDH1A1TSHRPOLBKDM4EHPGD
SCHEMBL31426653 0.70 ALDH1A1 (0.43) ALDH1A1POLBCYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0075117-B1 2H-1,2,4,6-THIATRIAZINE-1,1-DIOXIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES BASF Aktiengesellschaft (DE) 1985-03-13 EP disclosed
US-4428766-A 2N-1,2,4,6,Thiatriazine-1,1-dioxides and their use for controlling undesirable plant growth BASF AKTIENGESELLSCHAFT (DE) 1984-01-31 US disclosed
EP-0075117-A2 2H-1,2,4,6-thiatriazine-1,1-dioxides, process for their preparation and their use as herbicides BASF Aktiengesellschaft (DE) 1983-03-30 EP disclosed
US-4343648-A 6H-1,2,4,6-THIATRIAZINE-1,1-DIOXIDES BASF AKTIENGESELLSCHAFT (DE) 1982-08-10 US disclosed