SCHEMBL9824016

SCHEMBL9824016

COC(=O)CSc1cc(NC(=S)N2CCCCN2)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL9823977 0.92 ALDH1A1 (0.41) ALDH1A1NPSR1SMN1; SMN2HDAC3HDAC4
SCHEMBL9824039 0.88 SMN1; SMN2 (0.40) ALDH1A1KMT2ANPSR1SMN1; SMN2HDAC3
SCHEMBL9374218 0.88 NPSR1 (0.34) ALDH1A1KMT2ANPSR1SMN1; SMN2HDAC3
SCHEMBL9374243 0.87 POLB (0.33) ALDH1A1KMT2ANPSR1HDAC3HDAC4
SCHEMBL10338291 0.87 NPSR1 (0.35) ALDH1A1NPSR1SMN1; SMN2HDAC3HDAC4
SCHEMBL9371923 0.86 OPRK1 (0.38) ALDH1A1KMT2AMAPT
SCHEMBL9824163 0.83 KMT2A (0.35) ALDH1A1KMT2ANPSR1SMN1; SMN2RAB9A
SCHEMBL9094743 0.80 ALDH1A1 (0.34) ALDH1A1KMT2ANPSR1SMN1; SMN2RAB9A
SCHEMBL9770869 0.78 HDAC3 (0.38) ALDH1A1KMT2ASMN1; SMN2HDAC3HDAC4
SCHEMBL9824445 0.76 NPSR1 (0.39) KMT2ANPSR1SMN1; SMN2L3MBTL1RAB9A

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-0273417-B1 THIADIAZABICYCLONONANE DERIVATIVES AND HERBICIDAL COMPOSITIONS KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1991-08-21 EP disclosed
US-4906279-A Thiadiazabicyclononane derivatives and herbicidal composition KUMIAI CHEMICAL INDUSTRY CO. (JP) 1990-03-06 US disclosed