SCHEMBL9028142

SCHEMBL9028142

O=S(=O)(N1CCCCCC1)N1CCSCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.67
KMT2A Q03164 4/20 0.64
TSHR P16473 3/20 0.64
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 6/20 0.48
MEN1 O00255 3/20 0.48
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39

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
SCHEMBL44641 0.89 POLB (0.48) POLBKMT2ATSHRKDM4EALDH1A1
Hydrochloric Acid SCHEMBL1131672 0.87 POLB (0.46) POLBKMT2ATSHRKDM4EALDH1A1
SCHEMBL5280013 0.84 POLB (0.93) POLBKMT2ATSHRKDM4EALDH1A1
SCHEMBL29905605 0.84 POLB (0.93) POLBKMT2ATSHRKDM4EALDH1A1
SCHEMBL1546827 0.81 POLB (0.87) POLBKMT2ATSHRKDM4EALDH1A1
SCHEMBL3176249 0.75 KDM4E (1.00) POLBKMT2ATSHRKDM4EALDH1A1
SCHEMBL22095572 0.75 POLB (0.36) POLBKMT2ATSHRKDM4ESMN1; SMN2
SCHEMBL5314300 0.74 KMT2A (0.81) POLBKMT2ATSHRKDM4EALDH1A1
SCHEMBL16439724 0.72 KDM4E (0.95) POLBKMT2ATSHRKDM4EALDH1A1
SCHEMBL11412844 0.70 L3MBTL1 (0.38) TSHRALDH1A1SMN1; SMN2L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0695292-A1 HERBICIDAL (4-SUBSTITUTED PYRIDYL)-3-CARBINOLS ZENECA LIMITED (GB) 1996-02-07 EP claimed
WO-1994024106-A1 HERBICIDAL (4-SUBSTITUTED PYRIDYL)-3-CARBINOLS ZENECA LIMITED (GB) 1994-10-27 WO claimed