SCHEMBL6969052

SCHEMBL6969052

Cc1nnsc1COCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.50
▸ ALDH1A1 P00352 3/20 0.40
▸ ATM Q13315 1/20 0.39
▸ L3MBTL1 Q9Y468 5/20 0.38
▸ VCP P55072 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ POLB P06746 3/20 0.37
▸ MAPT P10636 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ STAT3 P40763 1/20 0.36
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ APP P05067 1/20 0.35
▸ GAA P10253 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ IDO1 P14902 1/20 0.34

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
SCHEMBL12168364 0.76 TSHR (0.46) TSHRALDH1A1L3MBTL1KDM4EPOLB
SCHEMBL29091864 0.73 TSHR (0.94) TSHRALDH1A1KDM4EPOLBLMNA
SCHEMBL27380 0.71 TSHR (1.00) TSHRALDH1A1KDM4EPOLBLMNA
Benzene SCHEMBL27997624 0.71 TSHR (1.00) TSHRALDH1A1KDM4EPOLBLMNA
SCHEMBL5311581 0.71 TSHR (1.00) TSHRALDH1A1KDM4EPOLBLMNA
SCHEMBL30239567 0.70 TSHR (0.50) TSHRL3MBTL1KDM4EPOLBMAPT
Toluene SCHEMBL19206951 0.69 TSHR (0.75) TSHRALDH1A1L3MBTL1KDM4EPOLB
P-Xylene SCHEMBL19206957 0.69 TSHR (0.75) TSHRALDH1A1L3MBTL1KDM4EPOLB
O-Xylene SCHEMBL19206943 0.69 TSHR (0.75) TSHRALDH1A1L3MBTL1KDM4EPOLB
Propane SCHEMBL11584021 0.69 TSHR (0.83) TSHRALDH1A1L3MBTL1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0930305-B1 1,2,3-THIADIAZOLE DERIVATIVES AND SALTS THEREOF, DISEASE CONTROLLING AGENTS FOR AGRICULTURAL AND HORTICULTURAL USE, AND METHOD FOR THE USE THEREOF NIHON NOHYAKU CO LTD (JP) 2003-05-14 — — EP disclosed
US-6337341-B1 AGROHORTICULTURAL DISEASE CONTROLLER CONTAINING SAID COMPOUND AS AN ACTIVE INGREDIENT, AND METHOD FOR USING THE DISEASE CONTROLLER. NIHON NOHYAKU CO., LTD. (JP) 2002-01-08 — — US disclosed
CN-1072657-C 1,2, 3-thiadiazole derivative and salt thereof, agrohorticultural virus control agent, and method for using same NIHON NOHYAKU CO LTD (JP) 2001-10-10 — — CN disclosed
US-6194444-B1 FUNGICIDES, BACTERICIDES, VIRICIDES NIHON NOHYAKU CO., LTD (JP) 2001-02-27 — — US disclosed
EP-0930305-A1 1,2,3-THIADIAZOLE DERIVATIVES AND SALTS THEREOF, DISEASE CONTROLLING AGENTS FOR AGRICULTURAL AND HORTICULTURAL USE, AND METHOD FOR THE USE THEREOF Nihon Nohyaku Co., Ltd. (JP) 1999-07-21 — — EP disclosed
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