SCHEMBL8302264

SCHEMBL8302264

COc1nscc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.46
POLB P06746 2/20 0.46
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
HCAR2 Q8TDS4 1/20 0.32
CA12 O43570 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32

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
SCHEMBL11563324 0.77 TSHR (0.46) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL11565544 0.73 PTPN11 (0.46) TDP1ALDH1A1LMNA
SCHEMBL11563831 0.73 PTPN11 (0.46) TDP1ALDH1A1LMNA
SCHEMBL3870892 0.72
Hydrochloric Acid SCHEMBL9527947 0.71 TDP1 (0.44) TDP1ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL12263256 0.71 TDP1 (0.53) TDP1LCKFYNALDH1A1KDM4E
SCHEMBL353395 0.70
SCHEMBL162070 0.70
SCHEMBL3482652 0.70 TDP1 (0.57) TDP1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8867710 0.69 TDP1 (0.47) TDP1ALDH1A1KDM4EMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0695748-B1 Tetrazolinone herbicides BAYER AGROCHEM KK (JP) 1999-05-06 EP disclosed
US-5589439-A HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 1996-12-31 US disclosed
EP-0695748-A1 Tetrazolinone herbicides NIHON BAYER AGROCHEM K.K. (JP) 1996-02-07 EP disclosed
US-4167575-A BIOCIDES ROHM AND HAAS COMPANY (US) 1979-09-11 US disclosed
US-4053479-A BIOCIDES ROHM AND HAAS COMPANY (US) 1977-10-11 US disclosed
US-3957808-A BIOCIDES ROHM AND HAAS COMPANY (US) 1976-05-18 US disclosed