SCHEMBL8889211

SCHEMBL8889211

O=C(O)NC1(S)CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.33
MME P08473 2/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
BLM P54132 1/20 0.31
CACNA2D1 P54289 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC4 P56524 1/20 0.31
ADRB2 P07550 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL11663692 0.97 MME (0.32) CYP2C19MME
SCHEMBL11660928 0.87
SCHEMBL3823906 0.72 CYP2C19 (0.34) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL11612474 0.70
SCHEMBL18183669 0.70 CYP2C19 (0.33) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL10808711 0.70 ALDH1A1 (0.40) CYP2C19USP2ALDH1A1CYP1A2SMN1; SMN2
SCHEMBL477423 0.70 HDAC4 (0.38) CYP2C19MMEUSP2ALDH1A1LMNA
SCHEMBL1694483 0.70 CNR2 (0.37) CYP2C19USP2ALDH1A1LMNACYP1A2
Hydrochloric Acid SCHEMBL11260754 0.68 CYP2C19 (0.32) CYP2C19USP2ALDH1A1LMNACYP1A2
Hydrochloric Acid SCHEMBL4731891 0.68 HDAC4 (0.37) CYP2C19USP2ALDH1A1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3984450-A HERBICIDES BASF AKTIENGESELLSCHAFT (DT) 1976-10-05 US claimed
US-5652372-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-07-29 US disclosed
US-5541337-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-07-30 US disclosed
US-5356865-A Herbicides BAYER AKTIENGESELLSCHAFT (DE) 1994-10-18 US disclosed
US-5097038-A Methylsulfonyl- and methylthiothiadiazole intermediates BAYER AKTIENGESELLSCHAFT (DE) 1992-03-17 US disclosed
US-4988378-A Herbicides BAYER AKTIENGESELLSCHAFT (DE) 1991-01-29 US disclosed
US-4664699-A SYNERGISTIC MIXTURE FOR WILD PROSO MILLET STAUFFER CHEMICAL COMPANY (US) 1987-05-12 US disclosed
EP-0039535-A2 Synergistic herbicidal compositions and use thereof STAUFFER CHEMICAL COMPANY (US) 1981-11-11 EP disclosed
US-4282168-A FUNGICIDES PPG INDUSTRIES, INC. (US) 1981-08-04 US disclosed
US-4213915-A FUNGICIDES, NEMATOCIDES PPG INDUSTRIES, INC. (US) 1980-07-22 US disclosed
US-4154600-A Thiolcarbamates as plant growth regulators MONSANTO COMPANY (US) 1979-05-15 US disclosed
US-4120886-A APHIDICIDES PPG INDUSTRIES, INC. (US) 1978-10-17 US disclosed
US-4117155-A APPLYING FUNGICIDE TO SOIL PPG INDUSTRIES, INC. (US) 1978-09-26 US disclosed
US-4075006-A PESTICIDES, NEMATOCIDES, FUNGICIDES PPG INDUSTRIES, INC. (US) 1978-02-21 US disclosed
US-4059609-A HERBICIDE, NEMATOCIDE, FUNGICIDE PPG INDUSTRIES, INC. (US) 1977-11-22 US disclosed
US-4056549-A PLANT PESTICIDE PPG INDUSTRIES, INC. (US) 1977-11-01 US disclosed
US-4055657-A S-ARYL-N-ALKYL-THIOLCARBAMATES PPG INDUSTRIES, INC. (US) 1977-10-25 US disclosed
US-4055656-A S-ARYL-N-CYCLOALKYLTHIOLCARBAMATES PPG INDUSTRIES, INC. (US) 1977-10-25 US disclosed